USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 SER OG : rot -73:sc= 0.077 USER MOD Set 1.2: A 79 GLN : amide:sc= -4.5! C(o=-4.4!,f=-5.9!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -157:sc= -7.4! (180deg=0) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -108:sc= -7.83! (180deg=-3!) USER MOD Set 3.1: A 30 ASN : amide:sc= -7.03! K(o=-10!,f=-4) USER MOD Set 3.2: A 34 ASN : amide:sc= -2.97! C(o=-10!,f=-4.4!) USER MOD Set 4.1: A 19 ASN : amide:sc= -0.5 K(o=-3.3,f=-2.5) USER MOD Set 4.2: A 22 LYS NZ :NH3+ -145:sc= 0.0409 (180deg=0) USER MOD Set 4.3: A 23 LYS NZ :NH3+ -166:sc= -2.82! (180deg=-2.43) USER MOD Single : A 9 THR OG1 : rot 37:sc= 0.0613 USER MOD Single : A 13 HIS : no HE2:sc= -2.41! C(o=-2.4!,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -0.0555 (180deg=-0.441) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -8.95! C(o=-8.9!,f=-7.7!) USER MOD Single : A 37 ASN : amide:sc= -6.64! C(o=-6.6!,f=-7.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 46 GLN : amide:sc= -3.04! X(o=-3!,f=-3.3) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 177:sc= 0 (180deg=-0.000795) USER MOD Single : A 80 LYS NZ :NH3+ -108:sc= 0.132 (180deg=-0.0896) USER MOD Single : A 83 ASN : amide:sc= -3.15! C(o=-3.1!,f=-7.7!) USER MOD Single : A 85 SER OG : rot -38:sc= 0.679 USER MOD Single : A 91 MET CE :methyl -115:sc= -0.185 (180deg=-0.347) USER MOD Single : A 92 GLN : amide:sc= -4.17! C(o=-4.2!,f=-6.4!) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= -0.0173 (180deg=-0.292) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.001) USER MOD Single : A 109 CYS SG : rot -41:sc= -0.433 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 94:sc= -0.408 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 124 LYS NZ :NH3+ 151:sc= -6.95! (180deg=-7.56!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 18.762 -7.114 0.950 1.00 1.61 N ATOM 138 CA THR A 9 19.612 -6.025 1.524 1.00 1.66 C ATOM 139 C THR A 9 18.816 -5.150 2.492 1.00 1.62 C ATOM 140 O THR A 9 19.358 -4.594 3.427 1.00 1.65 O ATOM 141 CB THR A 9 20.158 -5.165 0.382 1.00 1.71 C ATOM 142 OG1 THR A 9 20.994 -5.960 -0.448 1.00 1.71 O ATOM 143 CG2 THR A 9 20.965 -4.000 0.953 1.00 1.78 C ATOM 0 HA THR A 9 20.432 -6.480 2.080 1.00 1.66 H new ATOM 0 HB THR A 9 19.327 -4.772 -0.204 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.623 -6.865 -0.515 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.352 -3.390 0.136 1.00 1.78 H new ATOM 0 HG22 THR A 9 20.323 -3.390 1.589 1.00 1.78 H new ATOM 0 HG23 THR A 9 21.796 -4.387 1.542 1.00 1.78 H new ATOM 151 N LEU A 10 17.548 -5.015 2.280 1.00 1.55 N ATOM 152 CA LEU A 10 16.732 -4.163 3.193 1.00 1.52 C ATOM 153 C LEU A 10 16.496 -4.902 4.514 1.00 1.51 C ATOM 154 O LEU A 10 16.720 -4.375 5.585 1.00 1.54 O ATOM 155 CB LEU A 10 15.385 -3.849 2.527 1.00 1.44 C ATOM 156 CG LEU A 10 14.737 -2.611 3.185 1.00 1.43 C ATOM 157 CD1 LEU A 10 15.265 -1.329 2.530 1.00 1.48 C ATOM 158 CD2 LEU A 10 13.216 -2.667 3.006 1.00 1.36 C ATOM 0 H LEU A 10 17.033 -5.454 1.517 1.00 1.55 H new ATOM 0 HA LEU A 10 17.263 -3.233 3.394 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.532 -3.668 1.462 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.719 -4.707 2.616 1.00 1.44 H new ATOM 0 HG LEU A 10 14.987 -2.609 4.246 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.802 -0.462 3.001 1.00 1.48 H new ATOM 0 HD12 LEU A 10 16.346 -1.275 2.655 1.00 1.48 H new ATOM 0 HD13 LEU A 10 15.023 -1.337 1.467 1.00 1.48 H new ATOM 0 HD21 LEU A 10 12.762 -1.792 3.472 1.00 1.36 H new ATOM 0 HD22 LEU A 10 12.975 -2.679 1.943 1.00 1.36 H new ATOM 0 HD23 LEU A 10 12.827 -3.570 3.476 1.00 1.36 H new ATOM 170 N PHE A 11 16.036 -6.116 4.435 1.00 1.48 N ATOM 171 CA PHE A 11 15.764 -6.910 5.670 1.00 1.48 C ATOM 172 C PHE A 11 17.056 -7.557 6.171 1.00 1.55 C ATOM 173 O PHE A 11 17.098 -8.108 7.253 1.00 1.57 O ATOM 174 CB PHE A 11 14.727 -7.994 5.334 1.00 1.42 C ATOM 175 CG PHE A 11 13.360 -7.410 5.453 1.00 1.36 C ATOM 176 CD1 PHE A 11 12.931 -6.604 4.438 1.00 1.31 C ATOM 177 CD2 PHE A 11 12.555 -7.650 6.569 1.00 1.34 C ATOM 178 CE1 PHE A 11 11.677 -6.001 4.497 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.287 -7.060 6.644 1.00 1.27 C ATOM 180 CZ PHE A 11 10.846 -6.230 5.603 1.00 1.23 C ATOM 0 H PHE A 11 15.834 -6.600 3.560 1.00 1.48 H new ATOM 0 HA PHE A 11 15.379 -6.258 6.454 1.00 1.48 H new ATOM 0 HB2 PHE A 11 14.889 -8.370 4.324 1.00 1.42 H new ATOM 0 HB3 PHE A 11 14.835 -8.841 6.011 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.569 -6.433 3.583 1.00 1.31 H new ATOM 0 HD2 PHE A 11 12.908 -8.286 7.368 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.346 -5.359 3.694 1.00 1.25 H new ATOM 0 HE2 PHE A 11 10.652 -7.243 7.499 1.00 1.27 H new ATOM 0 HZ PHE A 11 9.871 -5.769 5.653 1.00 1.23 H new ATOM 190 N ASP A 12 18.102 -7.510 5.387 1.00 1.58 N ATOM 191 CA ASP A 12 19.400 -8.144 5.809 1.00 1.65 C ATOM 192 C ASP A 12 20.467 -7.083 6.090 1.00 1.70 C ATOM 193 O ASP A 12 21.523 -7.395 6.604 1.00 1.75 O ATOM 194 CB ASP A 12 19.905 -9.073 4.701 1.00 1.68 C ATOM 195 CG ASP A 12 18.780 -10.015 4.264 1.00 1.63 C ATOM 196 OD1 ASP A 12 17.645 -9.762 4.633 1.00 1.58 O ATOM 197 OD2 ASP A 12 19.074 -10.973 3.568 1.00 1.65 O ATOM 0 H ASP A 12 18.119 -7.061 4.471 1.00 1.58 H new ATOM 0 HA ASP A 12 19.217 -8.710 6.723 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.251 -8.486 3.851 1.00 1.68 H new ATOM 0 HB3 ASP A 12 20.758 -9.650 5.058 1.00 1.68 H new ATOM 202 N HIS A 13 20.231 -5.839 5.756 1.00 1.70 N ATOM 203 CA HIS A 13 21.283 -4.802 6.020 1.00 1.76 C ATOM 204 C HIS A 13 20.668 -3.423 6.291 1.00 1.73 C ATOM 205 O HIS A 13 21.298 -2.412 6.056 1.00 1.77 O ATOM 206 CB HIS A 13 22.206 -4.706 4.802 1.00 1.80 C ATOM 207 CG HIS A 13 23.470 -3.980 5.179 1.00 1.86 C ATOM 208 ND1 HIS A 13 23.581 -3.249 6.352 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.684 -3.864 4.549 1.00 1.91 C ATOM 210 CE1 HIS A 13 24.823 -2.731 6.390 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.537 -3.076 5.315 1.00 1.95 N ATOM 0 H HIS A 13 19.374 -5.498 5.320 1.00 1.70 H new ATOM 0 HA HIS A 13 21.840 -5.104 6.907 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.444 -5.704 4.435 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.701 -4.180 3.992 1.00 1.80 H new ATOM 0 HD1 HIS A 13 22.854 -3.126 7.057 1.00 1.87 H new ATOM 0 HD2 HIS A 13 24.939 -4.316 3.602 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.197 -2.112 7.192 1.00 1.93 H new ATOM 219 N ALA A 14 19.466 -3.353 6.800 1.00 1.66 N ATOM 220 CA ALA A 14 18.879 -2.006 7.086 1.00 1.63 C ATOM 221 C ALA A 14 17.532 -2.128 7.811 1.00 1.56 C ATOM 222 O ALA A 14 16.509 -1.786 7.253 1.00 1.51 O ATOM 223 CB ALA A 14 18.681 -1.249 5.771 1.00 1.62 C ATOM 0 H ALA A 14 18.873 -4.152 7.027 1.00 1.66 H new ATOM 0 HA ALA A 14 19.568 -1.463 7.733 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.254 -0.268 5.977 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.643 -1.129 5.272 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.006 -1.811 5.126 1.00 1.62 H new ATOM 229 N PRO A 15 17.567 -2.581 9.045 1.00 1.57 N ATOM 230 CA PRO A 15 16.346 -2.706 9.854 1.00 1.51 C ATOM 231 C PRO A 15 15.851 -1.300 10.235 1.00 1.50 C ATOM 232 O PRO A 15 14.739 -1.122 10.689 1.00 1.44 O ATOM 233 CB PRO A 15 16.788 -3.496 11.111 1.00 1.54 C ATOM 234 CG PRO A 15 18.322 -3.732 11.000 1.00 1.62 C ATOM 235 CD PRO A 15 18.804 -3.012 9.726 1.00 1.64 C ATOM 0 HA PRO A 15 15.531 -3.208 9.332 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.550 -2.939 12.017 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.257 -4.446 11.173 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.835 -3.343 11.879 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.544 -4.798 10.947 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.439 -2.160 9.969 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.392 -3.678 9.094 1.00 1.64 H new ATOM 243 N ASP A 16 16.686 -0.305 10.065 1.00 1.55 N ATOM 244 CA ASP A 16 16.281 1.091 10.432 1.00 1.55 C ATOM 245 C ASP A 16 15.522 1.744 9.272 1.00 1.52 C ATOM 246 O ASP A 16 14.440 2.284 9.442 1.00 1.48 O ATOM 247 CB ASP A 16 17.532 1.914 10.745 1.00 1.63 C ATOM 248 CG ASP A 16 17.122 3.330 11.155 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.423 3.459 12.146 1.00 1.68 O ATOM 250 OD2 ASP A 16 17.515 4.260 10.471 1.00 1.64 O ATOM 0 H ASP A 16 17.630 -0.397 9.689 1.00 1.55 H new ATOM 0 HA ASP A 16 15.631 1.055 11.306 1.00 1.55 H new ATOM 0 HB2 ASP A 16 18.100 1.442 11.547 1.00 1.63 H new ATOM 0 HB3 ASP A 16 18.184 1.951 9.872 1.00 1.63 H new ATOM 255 N LYS A 17 16.071 1.695 8.093 1.00 1.55 N ATOM 256 CA LYS A 17 15.373 2.301 6.930 1.00 1.54 C ATOM 257 C LYS A 17 14.085 1.524 6.713 1.00 1.46 C ATOM 258 O LYS A 17 13.079 2.060 6.301 1.00 1.42 O ATOM 259 CB LYS A 17 16.256 2.203 5.686 1.00 1.59 C ATOM 260 CG LYS A 17 17.622 2.824 5.983 1.00 1.67 C ATOM 261 CD LYS A 17 18.494 2.776 4.724 1.00 1.72 C ATOM 262 CE LYS A 17 19.670 3.743 4.879 1.00 1.80 C ATOM 263 NZ LYS A 17 19.175 5.145 4.778 1.00 1.80 N ATOM 0 H LYS A 17 16.971 1.262 7.885 1.00 1.55 H new ATOM 0 HA LYS A 17 15.159 3.353 7.116 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.374 1.160 5.392 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.784 2.719 4.850 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.500 3.855 6.313 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.109 2.285 6.795 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.862 1.763 4.562 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.902 3.044 3.849 1.00 1.72 H new ATOM 0 HE2 LYS A 17 20.159 3.587 5.840 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.416 3.553 4.107 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 19.953 5.767 4.478 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 18.405 5.192 4.081 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 18.822 5.456 5.705 1.00 1.80 H new ATOM 277 N LEU A 18 14.108 0.258 7.017 1.00 1.43 N ATOM 278 CA LEU A 18 12.887 -0.572 6.863 1.00 1.36 C ATOM 279 C LEU A 18 11.740 0.132 7.591 1.00 1.31 C ATOM 280 O LEU A 18 10.616 0.173 7.129 1.00 1.26 O ATOM 281 CB LEU A 18 13.153 -1.948 7.499 1.00 1.35 C ATOM 282 CG LEU A 18 12.348 -3.040 6.781 1.00 1.35 C ATOM 283 CD1 LEU A 18 12.698 -4.430 7.368 1.00 1.28 C ATOM 284 CD2 LEU A 18 10.844 -2.754 6.933 1.00 1.41 C ATOM 0 H LEU A 18 14.927 -0.239 7.368 1.00 1.43 H new ATOM 0 HA LEU A 18 12.627 -0.704 5.813 1.00 1.36 H new ATOM 0 HB2 LEU A 18 14.217 -2.179 7.447 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.883 -1.925 8.555 1.00 1.35 H new ATOM 0 HG LEU A 18 12.603 -3.040 5.721 1.00 1.35 H new ATOM 0 HD11 LEU A 18 12.122 -5.198 6.852 1.00 1.28 H new ATOM 0 HD12 LEU A 18 13.762 -4.624 7.235 1.00 1.28 H new ATOM 0 HD13 LEU A 18 12.456 -4.447 8.431 1.00 1.28 H new ATOM 0 HD21 LEU A 18 10.273 -3.530 6.423 1.00 1.41 H new ATOM 0 HD22 LEU A 18 10.580 -2.745 7.991 1.00 1.41 H new ATOM 0 HD23 LEU A 18 10.612 -1.784 6.493 1.00 1.41 H new ATOM 296 N ASN A 19 12.034 0.696 8.729 1.00 1.33 N ATOM 297 CA ASN A 19 10.983 1.409 9.506 1.00 1.29 C ATOM 298 C ASN A 19 10.573 2.679 8.761 1.00 1.30 C ATOM 299 O ASN A 19 9.416 2.878 8.447 1.00 1.25 O ATOM 300 CB ASN A 19 11.531 1.781 10.885 1.00 1.32 C ATOM 301 CG ASN A 19 10.377 2.225 11.786 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.486 1.452 12.075 1.00 1.29 O ATOM 303 ND2 ASN A 19 10.355 3.446 12.244 1.00 1.22 N ATOM 0 H ASN A 19 12.960 0.694 9.156 1.00 1.33 H new ATOM 0 HA ASN A 19 10.115 0.760 9.624 1.00 1.29 H new ATOM 0 HB2 ASN A 19 12.045 0.927 11.327 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.265 2.582 10.793 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.590 3.752 12.845 1.00 1.22 H new ATOM 0 HD22 ASN A 19 11.103 4.095 12.001 1.00 1.22 H new ATOM 310 N VAL A 20 11.508 3.543 8.475 1.00 1.36 N ATOM 311 CA VAL A 20 11.153 4.799 7.748 1.00 1.38 C ATOM 312 C VAL A 20 10.587 4.446 6.370 1.00 1.34 C ATOM 313 O VAL A 20 9.743 5.138 5.827 1.00 1.32 O ATOM 314 CB VAL A 20 12.403 5.664 7.577 1.00 1.46 C ATOM 315 CG1 VAL A 20 11.999 7.052 7.077 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.121 5.796 8.922 1.00 1.50 C ATOM 0 H VAL A 20 12.495 3.437 8.710 1.00 1.36 H new ATOM 0 HA VAL A 20 10.407 5.350 8.320 1.00 1.38 H new ATOM 0 HB VAL A 20 13.071 5.197 6.853 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.890 7.668 6.955 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.488 6.959 6.119 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.331 7.519 7.800 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.012 6.412 8.800 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.453 6.262 9.647 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.410 4.807 9.279 1.00 1.50 H new ATOM 326 N VAL A 21 11.047 3.372 5.800 1.00 1.33 N ATOM 327 CA VAL A 21 10.550 2.967 4.461 1.00 1.30 C ATOM 328 C VAL A 21 9.046 2.654 4.550 1.00 1.22 C ATOM 329 O VAL A 21 8.285 2.984 3.656 1.00 1.19 O ATOM 330 CB VAL A 21 11.354 1.747 3.989 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.610 1.017 2.873 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.724 2.208 3.467 1.00 1.38 C ATOM 0 H VAL A 21 11.750 2.754 6.206 1.00 1.33 H new ATOM 0 HA VAL A 21 10.682 3.771 3.737 1.00 1.30 H new ATOM 0 HB VAL A 21 11.486 1.067 4.831 1.00 1.30 H new ATOM 0 HG11 VAL A 21 11.194 0.155 2.550 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.640 0.682 3.241 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.464 1.693 2.030 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.296 1.343 3.132 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.583 2.895 2.633 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.266 2.714 4.266 1.00 1.38 H new ATOM 342 N LYS A 22 8.590 2.062 5.626 1.00 1.19 N ATOM 343 CA LYS A 22 7.138 1.801 5.738 1.00 1.12 C ATOM 344 C LYS A 22 6.475 3.167 5.801 1.00 1.12 C ATOM 345 O LYS A 22 5.466 3.394 5.192 1.00 1.09 O ATOM 346 CB LYS A 22 6.860 0.969 7.011 1.00 1.09 C ATOM 347 CG LYS A 22 5.410 1.171 7.545 1.00 1.03 C ATOM 348 CD LYS A 22 5.396 1.036 9.075 1.00 1.03 C ATOM 349 CE LYS A 22 5.917 2.334 9.718 1.00 1.09 C ATOM 350 NZ LYS A 22 6.666 2.002 10.963 1.00 1.14 N ATOM 0 H LYS A 22 9.157 1.755 6.416 1.00 1.19 H new ATOM 0 HA LYS A 22 6.748 1.228 4.896 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.021 -0.087 6.794 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.573 1.248 7.787 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.039 2.154 7.254 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.742 0.433 7.099 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.384 0.829 9.422 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.016 0.194 9.381 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.566 2.864 9.020 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.085 2.999 9.947 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.512 2.748 11.671 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.328 1.093 11.339 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.681 1.932 10.749 1.00 1.14 H new ATOM 364 N LYS A 23 7.044 4.065 6.553 1.00 1.17 N ATOM 365 CA LYS A 23 6.459 5.434 6.680 1.00 1.18 C ATOM 366 C LYS A 23 6.422 6.124 5.309 1.00 1.20 C ATOM 367 O LYS A 23 5.673 7.059 5.092 1.00 1.20 O ATOM 368 CB LYS A 23 7.302 6.270 7.652 1.00 1.25 C ATOM 369 CG LYS A 23 7.203 5.683 9.075 1.00 1.23 C ATOM 370 CD LYS A 23 7.547 6.750 10.127 1.00 1.29 C ATOM 371 CE LYS A 23 9.055 7.012 10.133 1.00 1.36 C ATOM 372 NZ LYS A 23 9.770 5.784 10.583 1.00 1.39 N ATOM 0 H LYS A 23 7.897 3.911 7.091 1.00 1.17 H new ATOM 0 HA LYS A 23 5.442 5.347 7.062 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.342 6.282 7.326 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.955 7.303 7.651 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.195 5.305 9.249 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.882 4.836 9.173 1.00 1.23 H new ATOM 0 HD2 LYS A 23 7.010 7.673 9.910 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.223 6.418 11.113 1.00 1.29 H new ATOM 0 HE2 LYS A 23 9.390 7.296 9.135 1.00 1.36 H new ATOM 0 HE3 LYS A 23 9.288 7.845 10.796 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 10.755 6.022 10.815 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 9.299 5.397 11.426 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 9.755 5.075 9.822 1.00 1.39 H new ATOM 386 N THR A 24 7.201 5.666 4.370 1.00 1.22 N ATOM 387 CA THR A 24 7.170 6.301 3.020 1.00 1.24 C ATOM 388 C THR A 24 5.957 5.756 2.294 1.00 1.18 C ATOM 389 O THR A 24 5.266 6.452 1.574 1.00 1.18 O ATOM 390 CB THR A 24 8.448 5.959 2.249 1.00 1.30 C ATOM 391 OG1 THR A 24 9.565 6.089 3.116 1.00 1.36 O ATOM 392 CG2 THR A 24 8.606 6.914 1.064 1.00 1.31 C ATOM 0 H THR A 24 7.852 4.888 4.475 1.00 1.22 H new ATOM 0 HA THR A 24 7.111 7.386 3.104 1.00 1.24 H new ATOM 0 HB THR A 24 8.388 4.936 1.879 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.386 5.869 2.627 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.516 6.668 0.517 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.747 6.816 0.401 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.668 7.939 1.429 1.00 1.31 H new ATOM 400 N LEU A 25 5.660 4.521 2.522 1.00 1.13 N ATOM 401 CA LEU A 25 4.462 3.942 1.898 1.00 1.07 C ATOM 402 C LEU A 25 3.255 4.589 2.588 1.00 1.03 C ATOM 403 O LEU A 25 2.213 4.785 1.992 1.00 0.99 O ATOM 404 CB LEU A 25 4.483 2.426 2.106 1.00 1.03 C ATOM 405 CG LEU A 25 5.702 1.804 1.396 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.650 0.271 1.541 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.714 2.190 -0.100 1.00 1.09 C ATOM 0 H LEU A 25 6.197 3.888 3.115 1.00 1.13 H new ATOM 0 HA LEU A 25 4.418 4.128 0.825 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.520 2.199 3.171 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.564 1.986 1.718 1.00 1.03 H new ATOM 0 HG LEU A 25 6.613 2.185 1.857 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.511 -0.171 1.040 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.669 0.005 2.598 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.733 -0.106 1.088 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.582 1.742 -0.584 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.804 1.826 -0.577 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.765 3.275 -0.196 1.00 1.09 H new ATOM 419 N ILE A 26 3.412 4.975 3.837 1.00 1.04 N ATOM 420 CA ILE A 26 2.305 5.661 4.550 1.00 1.01 C ATOM 421 C ILE A 26 2.053 6.968 3.819 1.00 1.05 C ATOM 422 O ILE A 26 0.939 7.397 3.692 1.00 1.02 O ATOM 423 CB ILE A 26 2.703 5.937 6.018 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.808 4.600 6.758 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.649 6.818 6.722 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.956 4.831 8.265 1.00 1.01 C ATOM 0 H ILE A 26 4.262 4.840 4.384 1.00 1.04 H new ATOM 0 HA ILE A 26 1.408 5.042 4.563 1.00 1.01 H new ATOM 0 HB ILE A 26 3.657 6.463 6.029 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.920 3.998 6.562 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.664 4.037 6.385 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.954 6.996 7.753 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.563 7.770 6.199 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.685 6.310 6.712 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.029 3.870 8.775 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.857 5.413 8.457 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.087 5.374 8.637 1.00 1.01 H new ATOM 438 N THR A 27 3.088 7.603 3.336 1.00 1.11 N ATOM 439 CA THR A 27 2.893 8.887 2.604 1.00 1.15 C ATOM 440 C THR A 27 2.061 8.621 1.333 1.00 1.12 C ATOM 441 O THR A 27 1.168 9.370 1.004 1.00 1.12 O ATOM 442 CB THR A 27 4.269 9.490 2.257 1.00 1.23 C ATOM 443 OG1 THR A 27 4.795 10.133 3.410 1.00 1.27 O ATOM 444 CG2 THR A 27 4.135 10.517 1.127 1.00 1.27 C ATOM 0 H THR A 27 4.055 7.289 3.416 1.00 1.11 H new ATOM 0 HA THR A 27 2.354 9.602 3.225 1.00 1.15 H new ATOM 0 HB THR A 27 4.935 8.691 1.930 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.671 10.518 3.199 1.00 1.27 H new ATOM 0 HG21 THR A 27 5.116 10.933 0.895 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.728 10.031 0.240 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.466 11.318 1.441 1.00 1.27 H new ATOM 452 N PHE A 28 2.342 7.557 0.625 1.00 1.10 N ATOM 453 CA PHE A 28 1.562 7.235 -0.615 1.00 1.07 C ATOM 454 C PHE A 28 0.054 7.203 -0.292 1.00 1.01 C ATOM 455 O PHE A 28 -0.765 7.855 -0.939 1.00 1.02 O ATOM 456 CB PHE A 28 2.038 5.857 -1.105 1.00 1.05 C ATOM 457 CG PHE A 28 1.285 5.400 -2.354 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.142 6.236 -3.483 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.694 4.123 -2.368 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.415 5.790 -4.589 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.023 3.686 -3.485 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.166 4.520 -4.592 1.00 1.00 C ATOM 0 H PHE A 28 3.082 6.892 0.851 1.00 1.10 H new ATOM 0 HA PHE A 28 1.721 7.989 -1.386 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.106 5.898 -1.321 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.901 5.123 -0.311 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.593 7.217 -3.491 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.795 3.476 -1.509 1.00 0.97 H new ATOM 0 HE1 PHE A 28 0.301 6.433 -5.449 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.467 2.701 -3.490 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.726 4.184 -5.452 1.00 1.00 H new ATOM 472 N VAL A 29 -0.324 6.456 0.709 1.00 0.97 N ATOM 473 CA VAL A 29 -1.767 6.387 1.074 1.00 0.92 C ATOM 474 C VAL A 29 -2.216 7.754 1.611 1.00 0.95 C ATOM 475 O VAL A 29 -3.324 8.191 1.372 1.00 0.94 O ATOM 476 CB VAL A 29 -1.971 5.305 2.143 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.440 4.879 2.175 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.098 4.090 1.813 1.00 0.85 C ATOM 0 H VAL A 29 0.300 5.893 1.287 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.362 6.134 0.196 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.690 5.706 3.117 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.580 4.111 2.936 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.064 5.741 2.411 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.725 4.481 1.201 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.243 3.321 2.572 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.379 3.694 0.837 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.050 4.389 1.795 1.00 0.85 H new ATOM 488 N ASN A 30 -1.357 8.436 2.322 1.00 0.99 N ATOM 489 CA ASN A 30 -1.719 9.777 2.864 1.00 1.03 C ATOM 490 C ASN A 30 -2.005 10.697 1.688 1.00 1.06 C ATOM 491 O ASN A 30 -2.609 11.730 1.821 1.00 1.09 O ATOM 492 CB ASN A 30 -0.544 10.345 3.692 1.00 1.08 C ATOM 493 CG ASN A 30 -1.069 11.072 4.935 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.111 12.285 4.974 1.00 1.11 O ATOM 495 ND2 ASN A 30 -1.474 10.371 5.957 1.00 1.06 N ATOM 0 H ASN A 30 -0.415 8.119 2.551 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.594 9.698 3.510 1.00 1.03 H new ATOM 0 HB2 ASN A 30 0.123 9.536 3.990 1.00 1.08 H new ATOM 0 HB3 ASN A 30 0.041 11.032 3.081 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.827 10.841 6.791 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.438 9.352 5.923 1.00 1.06 H new ATOM 502 N LYS A 31 -1.564 10.312 0.539 1.00 1.07 N ATOM 503 CA LYS A 31 -1.779 11.140 -0.660 1.00 1.11 C ATOM 504 C LYS A 31 -3.216 10.946 -1.087 1.00 1.06 C ATOM 505 O LYS A 31 -3.987 11.878 -1.137 1.00 1.08 O ATOM 506 CB LYS A 31 -0.805 10.681 -1.774 1.00 1.13 C ATOM 507 CG LYS A 31 -0.226 11.891 -2.521 1.00 1.18 C ATOM 508 CD LYS A 31 -1.339 12.622 -3.277 1.00 1.19 C ATOM 509 CE LYS A 31 -0.782 13.929 -3.847 1.00 1.23 C ATOM 510 NZ LYS A 31 -1.792 14.560 -4.741 1.00 1.29 N ATOM 0 H LYS A 31 -1.055 9.443 0.376 1.00 1.07 H new ATOM 0 HA LYS A 31 -1.591 12.195 -0.460 1.00 1.11 H new ATOM 0 HB2 LYS A 31 0.004 10.095 -1.338 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.327 10.030 -2.475 1.00 1.13 H new ATOM 0 HG2 LYS A 31 0.252 12.570 -1.815 1.00 1.18 H new ATOM 0 HG3 LYS A 31 0.544 11.563 -3.219 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -1.722 11.994 -4.081 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -2.175 12.829 -2.608 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -0.525 14.610 -3.036 1.00 1.23 H new ATOM 0 HE3 LYS A 31 0.136 13.733 -4.401 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -1.314 15.197 -5.410 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -2.299 13.821 -5.268 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -2.470 15.104 -4.170 1.00 1.29 H new ATOM 524 N HIS A 32 -3.599 9.732 -1.358 1.00 1.01 N ATOM 525 CA HIS A 32 -5.002 9.504 -1.754 1.00 0.97 C ATOM 526 C HIS A 32 -5.900 9.952 -0.619 1.00 0.95 C ATOM 527 O HIS A 32 -7.023 10.368 -0.815 1.00 0.95 O ATOM 528 CB HIS A 32 -5.196 8.006 -2.071 1.00 0.91 C ATOM 529 CG HIS A 32 -5.843 7.239 -0.927 1.00 0.93 C ATOM 530 ND1 HIS A 32 -5.259 6.105 -0.384 1.00 0.89 N ATOM 531 CD2 HIS A 32 -7.045 7.385 -0.269 1.00 0.98 C ATOM 532 CE1 HIS A 32 -6.105 5.616 0.544 1.00 0.93 C ATOM 533 NE2 HIS A 32 -7.206 6.359 0.653 1.00 0.98 N ATOM 0 H HIS A 32 -3.007 8.902 -1.322 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.257 10.076 -2.646 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -5.813 7.905 -2.964 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.228 7.560 -2.300 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -7.756 8.179 -0.444 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -5.914 4.729 1.129 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -7.997 6.207 1.279 1.00 0.98 H new ATOM 541 N LEU A 33 -5.400 9.872 0.566 1.00 0.95 N ATOM 542 CA LEU A 33 -6.196 10.283 1.735 1.00 0.94 C ATOM 543 C LEU A 33 -6.137 11.790 1.799 1.00 1.01 C ATOM 544 O LEU A 33 -7.148 12.449 1.933 1.00 1.02 O ATOM 545 CB LEU A 33 -5.584 9.678 2.991 1.00 0.92 C ATOM 546 CG LEU A 33 -5.938 8.183 3.111 1.00 0.85 C ATOM 547 CD1 LEU A 33 -4.907 7.486 4.003 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.328 8.001 3.741 1.00 0.84 C ATOM 0 H LEU A 33 -4.461 9.535 0.779 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.229 9.944 1.658 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.501 9.798 2.967 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -5.945 10.213 3.870 1.00 0.92 H new ATOM 0 HG LEU A 33 -5.937 7.749 2.111 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.156 6.428 4.089 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -3.915 7.591 3.563 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -4.915 7.942 4.993 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.557 6.938 3.816 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.337 8.445 4.736 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.077 8.490 3.118 1.00 0.84 H new ATOM 560 N ASN A 34 -4.955 12.351 1.686 1.00 1.05 N ATOM 561 CA ASN A 34 -4.851 13.840 1.716 1.00 1.12 C ATOM 562 C ASN A 34 -5.965 14.438 0.838 1.00 1.14 C ATOM 563 O ASN A 34 -6.474 15.502 1.131 1.00 1.18 O ATOM 564 CB ASN A 34 -3.478 14.296 1.196 1.00 1.18 C ATOM 565 CG ASN A 34 -2.448 14.263 2.332 1.00 1.25 C ATOM 566 OD1 ASN A 34 -2.775 14.528 3.472 1.00 1.26 O ATOM 567 ND2 ASN A 34 -1.210 13.948 2.065 1.00 1.29 N ATOM 0 H ASN A 34 -4.074 11.850 1.576 1.00 1.05 H new ATOM 0 HA ASN A 34 -4.961 14.186 2.744 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.155 13.647 0.382 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.551 15.305 0.790 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -0.517 13.924 2.813 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -0.935 13.726 1.108 1.00 1.29 H new ATOM 574 N LYS A 35 -6.388 13.761 -0.215 1.00 1.11 N ATOM 575 CA LYS A 35 -7.506 14.350 -1.020 1.00 1.13 C ATOM 576 C LYS A 35 -8.736 14.342 -0.116 1.00 1.11 C ATOM 577 O LYS A 35 -9.296 15.372 0.205 1.00 1.16 O ATOM 578 CB LYS A 35 -7.756 13.504 -2.290 1.00 1.10 C ATOM 579 CG LYS A 35 -7.146 14.185 -3.554 1.00 0.97 C ATOM 580 CD LYS A 35 -6.453 13.131 -4.428 1.00 1.01 C ATOM 581 CE LYS A 35 -5.084 12.790 -3.826 1.00 1.10 C ATOM 582 NZ LYS A 35 -4.059 13.723 -4.367 1.00 1.15 N ATOM 0 H LYS A 35 -6.023 12.865 -0.537 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.269 15.362 -1.350 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.319 12.514 -2.162 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -8.828 13.364 -2.431 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -7.930 14.685 -4.123 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -6.430 14.951 -3.256 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -7.068 12.234 -4.491 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.332 13.507 -5.444 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.123 12.866 -2.739 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -4.816 11.761 -4.064 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -3.443 13.214 -5.033 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -4.530 14.508 -4.861 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -3.486 14.100 -3.585 1.00 1.15 H new ATOM 596 N LEU A 36 -9.129 13.184 0.333 1.00 1.04 N ATOM 597 CA LEU A 36 -10.290 13.106 1.263 1.00 1.02 C ATOM 598 C LEU A 36 -9.846 13.720 2.597 1.00 1.05 C ATOM 599 O LEU A 36 -10.571 13.741 3.569 1.00 1.03 O ATOM 600 CB LEU A 36 -10.668 11.632 1.462 1.00 0.95 C ATOM 601 CG LEU A 36 -12.097 11.506 2.034 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.132 11.569 0.898 1.00 0.97 C ATOM 603 CD2 LEU A 36 -12.249 10.162 2.763 1.00 0.89 C ATOM 0 H LEU A 36 -8.698 12.290 0.097 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.155 13.640 0.869 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -10.604 11.104 0.511 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -9.957 11.158 2.139 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.265 12.329 2.728 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.135 11.479 1.314 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.040 12.521 0.375 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -12.955 10.752 0.199 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -13.259 10.078 3.165 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -12.068 9.346 2.063 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -11.528 10.107 3.579 1.00 0.89 H new ATOM 615 N ASN A 37 -8.638 14.222 2.609 1.00 1.11 N ATOM 616 CA ASN A 37 -8.040 14.864 3.809 1.00 1.16 C ATOM 617 C ASN A 37 -8.170 14.001 5.060 1.00 1.11 C ATOM 618 O ASN A 37 -8.798 14.372 6.029 1.00 1.12 O ATOM 619 CB ASN A 37 -8.657 16.230 4.038 1.00 1.22 C ATOM 620 CG ASN A 37 -10.118 16.115 4.483 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.010 16.036 3.662 1.00 1.16 O ATOM 622 ND2 ASN A 37 -10.406 16.119 5.757 1.00 1.21 N ATOM 0 H ASN A 37 -8.019 14.210 1.798 1.00 1.11 H new ATOM 0 HA ASN A 37 -6.974 14.979 3.614 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.086 16.767 4.795 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -8.599 16.816 3.120 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.378 16.056 6.060 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -9.659 16.185 6.448 1.00 1.21 H new ATOM 629 N LEU A 38 -7.512 12.878 5.051 1.00 1.06 N ATOM 630 CA LEU A 38 -7.509 11.960 6.252 1.00 1.02 C ATOM 631 C LEU A 38 -6.048 11.776 6.695 1.00 1.02 C ATOM 632 O LEU A 38 -5.228 12.655 6.524 1.00 1.06 O ATOM 633 CB LEU A 38 -8.150 10.589 5.894 1.00 0.98 C ATOM 634 CG LEU A 38 -9.662 10.564 6.211 1.00 0.97 C ATOM 635 CD1 LEU A 38 -9.914 10.755 7.723 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.381 11.655 5.415 1.00 1.02 C ATOM 0 H LEU A 38 -6.965 12.541 4.258 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.098 12.393 7.061 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -7.997 10.381 4.835 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -7.649 9.797 6.450 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.057 9.590 5.922 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -10.986 10.733 7.919 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.428 9.952 8.277 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -9.506 11.714 8.041 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.446 11.630 5.644 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -9.974 12.630 5.684 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.235 11.483 4.349 1.00 1.02 H new ATOM 648 N GLU A 39 -5.717 10.652 7.261 1.00 1.02 N ATOM 649 CA GLU A 39 -4.313 10.426 7.711 1.00 1.03 C ATOM 650 C GLU A 39 -4.089 8.945 8.049 1.00 0.98 C ATOM 651 O GLU A 39 -4.707 8.397 8.939 1.00 0.95 O ATOM 652 CB GLU A 39 -4.028 11.276 8.951 1.00 1.08 C ATOM 653 CG GLU A 39 -2.531 11.223 9.266 1.00 1.11 C ATOM 654 CD GLU A 39 -2.249 11.991 10.558 1.00 1.16 C ATOM 655 OE1 GLU A 39 -2.367 11.395 11.615 1.00 1.24 O ATOM 656 OE2 GLU A 39 -1.918 13.161 10.468 1.00 1.13 O ATOM 0 H GLU A 39 -6.357 9.877 7.433 1.00 1.02 H new ATOM 0 HA GLU A 39 -3.638 10.711 6.904 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.339 12.306 8.779 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.603 10.906 9.800 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.208 10.187 9.369 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -1.961 11.654 8.443 1.00 1.11 H new ATOM 663 N VAL A 40 -3.193 8.304 7.343 1.00 0.98 N ATOM 664 CA VAL A 40 -2.892 6.859 7.604 1.00 0.94 C ATOM 665 C VAL A 40 -1.707 6.755 8.573 1.00 0.95 C ATOM 666 O VAL A 40 -0.934 7.681 8.720 1.00 0.99 O ATOM 667 CB VAL A 40 -2.533 6.179 6.275 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.439 6.996 5.536 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.039 4.750 6.552 1.00 0.89 C ATOM 0 H VAL A 40 -2.650 8.723 6.588 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.761 6.370 8.044 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.417 6.135 5.639 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.192 6.505 4.595 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.809 8.001 5.335 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.547 7.056 6.159 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -1.783 4.264 5.610 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.157 4.787 7.192 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -2.825 4.183 7.050 1.00 0.89 H new ATOM 679 N THR A 41 -1.561 5.636 9.244 1.00 0.93 N ATOM 680 CA THR A 41 -0.426 5.477 10.213 1.00 0.95 C ATOM 681 C THR A 41 0.119 4.044 10.176 1.00 0.91 C ATOM 682 O THR A 41 1.268 3.807 10.493 1.00 0.96 O ATOM 683 CB THR A 41 -0.927 5.766 11.635 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.867 6.829 11.598 1.00 1.12 O ATOM 685 CG2 THR A 41 0.251 6.153 12.535 1.00 1.20 C ATOM 0 H THR A 41 -2.177 4.827 9.163 1.00 0.93 H new ATOM 0 HA THR A 41 0.365 6.173 9.934 1.00 0.95 H new ATOM 0 HB THR A 41 -1.403 4.872 12.036 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.189 7.013 12.505 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.112 6.357 13.542 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.969 5.334 12.567 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.735 7.045 12.137 1.00 1.20 H new ATOM 693 N GLU A 42 -0.703 3.083 9.828 1.00 0.86 N ATOM 694 CA GLU A 42 -0.237 1.656 9.806 1.00 0.83 C ATOM 695 C GLU A 42 -0.364 1.081 8.401 1.00 0.81 C ATOM 696 O GLU A 42 -1.308 0.388 8.088 1.00 0.88 O ATOM 697 CB GLU A 42 -1.103 0.836 10.765 1.00 0.78 C ATOM 698 CG GLU A 42 -1.138 1.521 12.132 1.00 0.77 C ATOM 699 CD GLU A 42 -2.035 0.726 13.081 1.00 0.78 C ATOM 700 OE1 GLU A 42 -3.241 0.893 13.005 1.00 0.84 O ATOM 701 OE2 GLU A 42 -1.500 -0.037 13.869 1.00 0.83 O ATOM 0 H GLU A 42 -1.677 3.223 9.558 1.00 0.86 H new ATOM 0 HA GLU A 42 0.808 1.615 10.112 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -2.114 0.741 10.368 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.702 -0.173 10.862 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -0.130 1.591 12.541 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -1.512 2.540 12.030 1.00 0.77 H new ATOM 708 N LEU A 43 0.595 1.334 7.556 1.00 0.80 N ATOM 709 CA LEU A 43 0.529 0.774 6.182 1.00 0.78 C ATOM 710 C LEU A 43 0.341 -0.739 6.299 1.00 0.74 C ATOM 711 O LEU A 43 -0.473 -1.340 5.628 1.00 0.70 O ATOM 712 CB LEU A 43 1.843 1.118 5.457 1.00 0.86 C ATOM 713 CG LEU A 43 1.987 0.354 4.129 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.355 -1.128 4.364 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.689 0.473 3.311 1.00 0.90 C ATOM 0 H LEU A 43 1.418 1.902 7.758 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.302 1.191 5.613 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.880 2.190 5.264 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.687 0.881 6.105 1.00 0.86 H new ATOM 0 HG LEU A 43 2.803 0.804 3.564 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.448 -1.636 3.404 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.302 -1.187 4.900 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.574 -1.608 4.954 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.799 -0.070 2.373 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.139 0.051 3.880 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.487 1.523 3.100 1.00 0.90 H new ATOM 727 N GLU A 44 1.099 -1.362 7.147 1.00 0.79 N ATOM 728 CA GLU A 44 0.979 -2.843 7.300 1.00 0.77 C ATOM 729 C GLU A 44 -0.498 -3.273 7.470 1.00 0.69 C ATOM 730 O GLU A 44 -1.049 -4.030 6.685 1.00 0.70 O ATOM 731 CB GLU A 44 1.784 -3.289 8.544 1.00 0.83 C ATOM 732 CG GLU A 44 2.713 -2.169 9.003 1.00 0.84 C ATOM 733 CD GLU A 44 3.598 -2.669 10.146 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.238 -3.661 10.758 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.622 -2.052 10.389 1.00 1.14 O ATOM 0 H GLU A 44 1.797 -0.917 7.743 1.00 0.79 H new ATOM 0 HA GLU A 44 1.372 -3.315 6.399 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.101 -3.558 9.350 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.366 -4.180 8.309 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.332 -1.833 8.171 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.128 -1.310 9.332 1.00 0.84 H new ATOM 742 N THR A 45 -1.123 -2.819 8.512 1.00 0.65 N ATOM 743 CA THR A 45 -2.534 -3.220 8.781 1.00 0.60 C ATOM 744 C THR A 45 -3.508 -2.475 7.870 1.00 0.58 C ATOM 745 O THR A 45 -4.701 -2.691 7.931 1.00 0.58 O ATOM 746 CB THR A 45 -2.878 -2.909 10.240 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.891 -1.502 10.432 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.833 -3.543 11.160 1.00 0.64 C ATOM 0 H THR A 45 -0.718 -2.182 9.198 1.00 0.65 H new ATOM 0 HA THR A 45 -2.627 -4.288 8.585 1.00 0.60 H new ATOM 0 HB THR A 45 -3.861 -3.317 10.477 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.113 -1.301 11.365 1.00 0.84 H new ATOM 0 HG21 THR A 45 -2.079 -3.321 12.198 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.825 -4.623 11.012 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.849 -3.138 10.926 1.00 0.64 H new ATOM 756 N GLN A 46 -3.037 -1.613 7.015 1.00 0.59 N ATOM 757 CA GLN A 46 -3.981 -0.899 6.131 1.00 0.59 C ATOM 758 C GLN A 46 -4.464 -1.879 5.080 1.00 0.54 C ATOM 759 O GLN A 46 -5.501 -1.697 4.473 1.00 0.58 O ATOM 760 CB GLN A 46 -3.296 0.304 5.475 1.00 0.65 C ATOM 761 CG GLN A 46 -3.289 1.497 6.461 1.00 0.66 C ATOM 762 CD GLN A 46 -4.442 2.461 6.150 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.336 3.288 5.266 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.543 2.387 6.846 1.00 1.04 N ATOM 0 H GLN A 46 -2.052 -1.378 6.894 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.826 -0.520 6.707 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.275 0.045 5.194 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.819 0.579 4.559 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.379 1.131 7.484 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.338 2.025 6.394 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.632 1.693 7.588 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.315 3.023 6.648 1.00 1.04 H new ATOM 773 N PHE A 47 -3.731 -2.946 4.884 1.00 0.50 N ATOM 774 CA PHE A 47 -4.153 -3.966 3.909 1.00 0.49 C ATOM 775 C PHE A 47 -4.881 -5.034 4.686 1.00 0.46 C ATOM 776 O PHE A 47 -5.618 -5.829 4.144 1.00 0.49 O ATOM 777 CB PHE A 47 -2.931 -4.559 3.221 1.00 0.54 C ATOM 778 CG PHE A 47 -2.477 -3.639 2.110 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.029 -2.347 2.412 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.494 -4.079 0.782 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.602 -1.497 1.386 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.063 -3.231 -0.243 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.619 -1.941 0.058 1.00 0.89 C ATOM 0 H PHE A 47 -2.855 -3.145 5.366 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.796 -3.537 3.140 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.126 -4.698 3.943 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.170 -5.543 2.817 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.013 -2.007 3.437 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.840 -5.075 0.548 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.260 -0.499 1.618 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.073 -3.573 -1.267 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.289 -1.286 -0.734 1.00 0.89 H new ATOM 793 N ALA A 48 -4.708 -5.020 5.972 1.00 0.42 N ATOM 794 CA ALA A 48 -5.416 -6.006 6.833 1.00 0.40 C ATOM 795 C ALA A 48 -6.902 -5.675 6.798 1.00 0.36 C ATOM 796 O ALA A 48 -7.636 -5.914 7.736 1.00 0.36 O ATOM 797 CB ALA A 48 -4.896 -5.926 8.270 1.00 0.42 C ATOM 0 H ALA A 48 -4.104 -4.366 6.470 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.242 -7.018 6.467 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.423 -6.653 8.889 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.828 -6.144 8.283 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -5.066 -4.924 8.663 1.00 0.42 H new ATOM 803 N ASP A 49 -7.332 -5.111 5.709 1.00 0.34 N ATOM 804 CA ASP A 49 -8.756 -4.729 5.557 1.00 0.32 C ATOM 805 C ASP A 49 -9.001 -4.316 4.097 1.00 0.31 C ATOM 806 O ASP A 49 -10.107 -4.370 3.600 1.00 0.31 O ATOM 807 CB ASP A 49 -9.049 -3.568 6.510 1.00 0.32 C ATOM 808 CG ASP A 49 -8.377 -2.290 6.000 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.912 -1.686 5.089 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.337 -1.939 6.533 1.00 0.36 O ATOM 0 H ASP A 49 -6.745 -4.895 4.904 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.416 -5.562 5.800 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.125 -3.416 6.591 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.685 -3.806 7.509 1.00 0.32 H new ATOM 815 N GLY A 50 -7.959 -3.931 3.405 1.00 0.32 N ATOM 816 CA GLY A 50 -8.096 -3.536 1.963 1.00 0.33 C ATOM 817 C GLY A 50 -9.158 -2.431 1.769 1.00 0.33 C ATOM 818 O GLY A 50 -9.483 -2.058 0.651 1.00 0.34 O ATOM 0 H GLY A 50 -7.011 -3.872 3.777 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.134 -3.185 1.589 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.368 -4.410 1.371 1.00 0.33 H new ATOM 822 N VAL A 51 -9.704 -1.905 2.829 1.00 0.33 N ATOM 823 CA VAL A 51 -10.741 -0.835 2.680 1.00 0.36 C ATOM 824 C VAL A 51 -10.097 0.437 2.130 1.00 0.40 C ATOM 825 O VAL A 51 -10.442 0.916 1.066 1.00 0.42 O ATOM 826 CB VAL A 51 -11.323 -0.509 4.054 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.493 0.473 3.921 1.00 0.43 C ATOM 828 CG2 VAL A 51 -11.826 -1.788 4.724 1.00 0.36 C ATOM 0 H VAL A 51 -9.482 -2.165 3.790 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.519 -1.187 2.002 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.538 -0.057 4.659 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.896 0.695 4.909 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.143 1.395 3.457 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.273 0.028 3.302 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.240 -1.547 5.703 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.600 -2.243 4.105 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -10.998 -2.487 4.842 1.00 0.36 H new ATOM 838 N TYR A 52 -9.169 0.992 2.857 1.00 0.41 N ATOM 839 CA TYR A 52 -8.508 2.236 2.390 1.00 0.47 C ATOM 840 C TYR A 52 -7.968 2.006 0.985 1.00 0.47 C ATOM 841 O TYR A 52 -7.646 2.932 0.270 1.00 0.51 O ATOM 842 CB TYR A 52 -7.354 2.586 3.333 1.00 0.49 C ATOM 843 CG TYR A 52 -7.888 2.752 4.735 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.002 1.638 5.575 1.00 0.48 C ATOM 845 CD2 TYR A 52 -8.272 4.017 5.194 1.00 0.57 C ATOM 846 CE1 TYR A 52 -8.500 1.790 6.875 1.00 0.51 C ATOM 847 CE2 TYR A 52 -8.771 4.169 6.493 1.00 0.60 C ATOM 848 CZ TYR A 52 -8.884 3.055 7.334 1.00 0.57 C ATOM 849 OH TYR A 52 -9.377 3.204 8.614 1.00 0.60 O ATOM 0 H TYR A 52 -8.841 0.636 3.755 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.224 3.058 2.381 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.599 1.800 3.310 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.868 3.505 3.006 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -7.706 0.662 5.221 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -8.183 4.876 4.546 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -8.588 0.931 7.523 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -9.069 5.145 6.847 1.00 0.60 H new ATOM 0 HH TYR A 52 -9.595 4.146 8.773 1.00 0.60 H new ATOM 859 N LEU A 53 -7.866 0.772 0.585 1.00 0.43 N ATOM 860 CA LEU A 53 -7.331 0.480 -0.780 1.00 0.44 C ATOM 861 C LEU A 53 -8.388 0.823 -1.837 1.00 0.45 C ATOM 862 O LEU A 53 -8.164 1.657 -2.693 1.00 0.50 O ATOM 863 CB LEU A 53 -6.922 -1.011 -0.869 1.00 0.41 C ATOM 864 CG LEU A 53 -5.384 -1.155 -0.873 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.817 -0.721 0.489 1.00 0.44 C ATOM 866 CD2 LEU A 53 -4.980 -2.620 -1.162 1.00 0.46 C ATOM 0 H LEU A 53 -8.127 -0.045 1.137 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.449 1.093 -0.967 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.342 -1.559 -0.026 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.336 -1.454 -1.775 1.00 0.41 H new ATOM 0 HG LEU A 53 -4.975 -0.517 -1.656 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -3.732 -0.824 0.481 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.081 0.320 0.678 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -5.236 -1.350 1.275 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -3.893 -2.705 -1.161 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.395 -3.271 -0.392 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -5.367 -2.919 -2.136 1.00 0.46 H new ATOM 878 N VAL A 54 -9.538 0.209 -1.802 1.00 0.43 N ATOM 879 CA VAL A 54 -10.563 0.560 -2.829 1.00 0.46 C ATOM 880 C VAL A 54 -10.734 2.084 -2.833 1.00 0.51 C ATOM 881 O VAL A 54 -10.968 2.713 -3.858 1.00 0.55 O ATOM 882 CB VAL A 54 -11.888 -0.103 -2.473 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.930 0.215 -3.546 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.693 -1.619 -2.385 1.00 0.41 C ATOM 0 H VAL A 54 -9.810 -0.504 -1.125 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.248 0.214 -3.813 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.233 0.277 -1.512 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.876 -0.261 -3.287 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.072 1.294 -3.607 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.586 -0.161 -4.510 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.641 -2.094 -2.130 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.344 -1.997 -3.346 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -10.955 -1.847 -1.616 1.00 0.41 H new ATOM 894 N LEU A 55 -10.588 2.687 -1.687 1.00 0.52 N ATOM 895 CA LEU A 55 -10.717 4.160 -1.608 1.00 0.58 C ATOM 896 C LEU A 55 -9.603 4.786 -2.452 1.00 0.62 C ATOM 897 O LEU A 55 -9.859 5.624 -3.283 1.00 0.66 O ATOM 898 CB LEU A 55 -10.587 4.597 -0.137 1.00 0.59 C ATOM 899 CG LEU A 55 -11.967 4.562 0.559 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.784 4.382 2.071 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.720 5.876 0.296 1.00 0.67 C ATOM 0 H LEU A 55 -10.385 2.220 -0.803 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.686 4.486 -1.986 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.893 3.938 0.385 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.172 5.603 -0.085 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.541 3.726 0.158 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.760 4.358 2.555 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.260 3.446 2.265 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.202 5.213 2.469 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.691 5.844 0.790 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -12.141 6.712 0.689 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.862 6.005 -0.777 1.00 0.67 H new ATOM 913 N LEU A 56 -8.371 4.363 -2.260 1.00 0.62 N ATOM 914 CA LEU A 56 -7.236 4.924 -3.063 1.00 0.66 C ATOM 915 C LEU A 56 -7.669 5.008 -4.517 1.00 0.67 C ATOM 916 O LEU A 56 -7.588 6.043 -5.139 1.00 0.72 O ATOM 917 CB LEU A 56 -5.987 4.015 -2.885 1.00 0.65 C ATOM 918 CG LEU A 56 -5.053 4.032 -4.116 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.527 5.445 -4.366 1.00 0.72 C ATOM 920 CD2 LEU A 56 -3.864 3.108 -3.846 1.00 0.66 C ATOM 0 H LEU A 56 -8.105 3.651 -1.579 1.00 0.62 H new ATOM 0 HA LEU A 56 -6.971 5.925 -2.723 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.429 4.340 -2.007 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.312 2.992 -2.695 1.00 0.65 H new ATOM 0 HG LEU A 56 -5.611 3.698 -4.990 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -3.871 5.440 -5.236 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.365 6.118 -4.547 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -3.970 5.786 -3.493 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.197 3.112 -4.708 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.323 3.459 -2.967 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.224 2.094 -3.670 1.00 0.66 H new ATOM 932 N MET A 57 -8.146 3.935 -5.051 1.00 0.62 N ATOM 933 CA MET A 57 -8.598 3.963 -6.468 1.00 0.63 C ATOM 934 C MET A 57 -9.560 5.140 -6.666 1.00 0.68 C ATOM 935 O MET A 57 -9.564 5.792 -7.695 1.00 0.72 O ATOM 936 CB MET A 57 -9.312 2.651 -6.801 1.00 0.58 C ATOM 937 CG MET A 57 -8.485 1.473 -6.278 1.00 0.55 C ATOM 938 SD MET A 57 -9.032 -0.054 -7.078 1.00 0.60 S ATOM 939 CE MET A 57 -7.567 -1.043 -6.691 1.00 0.57 C ATOM 0 H MET A 57 -8.246 3.038 -4.576 1.00 0.62 H new ATOM 0 HA MET A 57 -7.738 4.081 -7.127 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.305 2.640 -6.351 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.449 2.563 -7.879 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.427 1.641 -6.478 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.596 1.389 -5.197 1.00 0.55 H new ATOM 0 HE1 MET A 57 -7.710 -2.062 -7.051 1.00 0.57 H new ATOM 0 HE2 MET A 57 -6.694 -0.606 -7.176 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.413 -1.058 -5.612 1.00 0.57 H new ATOM 949 N GLY A 58 -10.390 5.404 -5.692 1.00 0.67 N ATOM 950 CA GLY A 58 -11.374 6.523 -5.831 1.00 0.73 C ATOM 951 C GLY A 58 -10.720 7.909 -5.744 1.00 0.79 C ATOM 952 O GLY A 58 -10.840 8.710 -6.650 1.00 0.84 O ATOM 0 H GLY A 58 -10.431 4.896 -4.808 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -11.890 6.430 -6.787 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.130 6.434 -5.051 1.00 0.73 H new ATOM 956 N LEU A 59 -10.052 8.212 -4.673 1.00 0.79 N ATOM 957 CA LEU A 59 -9.422 9.557 -4.548 1.00 0.86 C ATOM 958 C LEU A 59 -8.452 9.740 -5.706 1.00 0.88 C ATOM 959 O LEU A 59 -8.052 10.837 -6.035 1.00 0.94 O ATOM 960 CB LEU A 59 -8.714 9.694 -3.179 1.00 0.86 C ATOM 961 CG LEU A 59 -9.714 9.457 -2.012 1.00 0.82 C ATOM 962 CD1 LEU A 59 -11.043 10.190 -2.262 1.00 0.82 C ATOM 963 CD2 LEU A 59 -9.998 7.958 -1.822 1.00 0.87 C ATOM 0 H LEU A 59 -9.913 7.590 -3.877 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.180 10.339 -4.593 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -7.896 8.976 -3.114 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.274 10.687 -3.090 1.00 0.86 H new ATOM 0 HG LEU A 59 -9.250 9.853 -1.109 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -11.722 10.006 -1.430 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -10.857 11.261 -2.349 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -11.493 9.824 -3.185 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -10.700 7.822 -0.999 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -10.428 7.550 -2.737 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -9.068 7.437 -1.595 1.00 0.87 H new ATOM 975 N LEU A 60 -8.107 8.672 -6.354 1.00 0.84 N ATOM 976 CA LEU A 60 -7.197 8.781 -7.526 1.00 0.87 C ATOM 977 C LEU A 60 -8.000 9.401 -8.666 1.00 0.91 C ATOM 978 O LEU A 60 -7.667 10.451 -9.179 1.00 0.96 O ATOM 979 CB LEU A 60 -6.703 7.381 -7.929 1.00 0.82 C ATOM 980 CG LEU A 60 -5.469 7.462 -8.853 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.796 8.258 -10.123 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.281 8.115 -8.116 1.00 0.91 C ATOM 0 H LEU A 60 -8.413 7.726 -6.126 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.328 9.395 -7.291 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.452 6.811 -7.034 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.504 6.843 -8.436 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.192 6.447 -9.136 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.913 8.304 -10.761 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -6.608 7.768 -10.661 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.100 9.269 -9.851 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.421 8.163 -8.784 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -4.556 9.123 -7.805 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.026 7.521 -7.238 1.00 0.91 H new ATOM 994 N GLU A 61 -9.071 8.764 -9.053 1.00 0.87 N ATOM 995 CA GLU A 61 -9.912 9.320 -10.146 1.00 0.91 C ATOM 996 C GLU A 61 -10.355 10.729 -9.750 1.00 0.96 C ATOM 997 O GLU A 61 -10.447 11.621 -10.569 1.00 1.00 O ATOM 998 CB GLU A 61 -11.145 8.419 -10.341 1.00 0.86 C ATOM 999 CG GLU A 61 -11.609 8.467 -11.802 1.00 0.82 C ATOM 1000 CD GLU A 61 -12.808 7.534 -11.989 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -12.884 6.549 -11.274 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -13.630 7.822 -12.843 1.00 0.74 O ATOM 0 H GLU A 61 -9.399 7.882 -8.658 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.348 9.361 -11.078 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -10.903 7.393 -10.062 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -11.951 8.746 -9.685 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -11.882 9.486 -12.074 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -10.795 8.168 -12.463 1.00 0.82 H new ATOM 1009 N GLY A 62 -10.634 10.922 -8.487 1.00 0.95 N ATOM 1010 CA GLY A 62 -11.082 12.263 -7.999 1.00 1.01 C ATOM 1011 C GLY A 62 -12.589 12.229 -7.763 1.00 1.00 C ATOM 1012 O GLY A 62 -13.316 13.114 -8.170 1.00 1.03 O ATOM 0 H GLY A 62 -10.570 10.203 -7.766 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -10.562 12.520 -7.076 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -10.833 13.032 -8.730 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.043 -7.281 6.739 1.00 0.42 N ATOM 1208 CA PRO A 74 -12.816 -7.980 7.152 1.00 0.35 C ATOM 1209 C PRO A 74 -12.942 -8.364 8.631 1.00 0.35 C ATOM 1210 O PRO A 74 -12.503 -7.654 9.514 1.00 0.40 O ATOM 1211 CB PRO A 74 -11.678 -6.967 6.894 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.288 -5.795 6.075 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.829 -5.938 6.157 1.00 0.47 C ATOM 0 HA PRO A 74 -12.627 -8.906 6.608 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.264 -6.605 7.835 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -10.861 -7.436 6.346 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.968 -4.835 6.479 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.952 -5.833 5.039 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -14.268 -5.160 6.781 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -14.289 -5.854 5.172 1.00 0.47 H new ATOM 1221 N ASP A 75 -13.559 -9.486 8.900 1.00 0.34 N ATOM 1222 CA ASP A 75 -13.743 -9.933 10.313 1.00 0.38 C ATOM 1223 C ASP A 75 -12.660 -10.946 10.655 1.00 0.36 C ATOM 1224 O ASP A 75 -11.971 -10.830 11.649 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.133 -10.585 10.455 1.00 0.46 C ATOM 1226 CG ASP A 75 -15.689 -10.347 11.865 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -15.629 -9.217 12.321 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -16.163 -11.300 12.463 1.00 1.34 O ATOM 0 H ASP A 75 -13.946 -10.115 8.197 1.00 0.34 H new ATOM 0 HA ASP A 75 -13.671 -9.083 10.991 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -15.815 -10.170 9.713 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.062 -11.655 10.260 1.00 0.46 H new ATOM 1233 N SER A 76 -12.509 -11.936 9.820 1.00 0.38 N ATOM 1234 CA SER A 76 -11.472 -12.980 10.052 1.00 0.41 C ATOM 1235 C SER A 76 -10.377 -12.811 9.004 1.00 0.39 C ATOM 1236 O SER A 76 -10.338 -11.837 8.279 1.00 0.37 O ATOM 1237 CB SER A 76 -12.102 -14.376 9.942 1.00 0.51 C ATOM 1238 OG SER A 76 -13.109 -14.363 8.944 1.00 0.54 O ATOM 0 H SER A 76 -13.067 -12.068 8.976 1.00 0.38 H new ATOM 0 HA SER A 76 -11.048 -12.874 11.050 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.338 -15.113 9.693 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.529 -14.671 10.901 1.00 0.51 H new ATOM 0 HG SER A 76 -13.891 -13.873 9.274 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.480 -13.739 8.938 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.369 -13.636 7.964 1.00 0.44 C ATOM 1246 C PHE A 77 -8.888 -13.739 6.556 1.00 0.48 C ATOM 1247 O PHE A 77 -8.699 -12.866 5.761 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.389 -14.780 8.223 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.268 -14.788 7.196 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.513 -13.629 6.953 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.973 -15.969 6.498 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.467 -13.656 6.016 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.932 -15.991 5.563 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.180 -14.837 5.323 1.00 0.90 C ATOM 0 H PHE A 77 -9.466 -14.575 9.522 1.00 0.42 H new ATOM 0 HA PHE A 77 -7.875 -12.672 8.083 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -6.968 -14.682 9.224 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.920 -15.731 8.192 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.737 -12.717 7.487 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.550 -16.863 6.683 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.885 -12.766 5.831 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.709 -16.901 5.026 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.376 -14.857 4.602 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.530 -14.799 6.247 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.058 -14.971 4.866 1.00 0.56 C ATOM 1266 C GLU A 78 -10.788 -13.697 4.422 1.00 0.53 C ATOM 1267 O GLU A 78 -10.655 -13.263 3.303 1.00 0.59 O ATOM 1268 CB GLU A 78 -11.016 -16.188 4.850 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.561 -17.223 3.814 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.594 -18.348 3.727 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.303 -18.551 4.698 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -11.658 -18.987 2.690 1.00 1.45 O ATOM 0 H GLU A 78 -9.722 -15.571 6.885 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.238 -15.149 4.170 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.047 -16.645 5.839 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.029 -15.857 4.620 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.441 -16.749 2.840 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.589 -17.629 4.093 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.549 -13.100 5.285 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.286 -11.878 4.918 1.00 0.45 C ATOM 1281 C GLN A 79 -11.303 -10.754 4.620 1.00 0.40 C ATOM 1282 O GLN A 79 -11.554 -9.902 3.790 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.177 -11.548 6.107 1.00 0.49 C ATOM 1284 CG GLN A 79 -14.001 -12.789 6.463 1.00 0.49 C ATOM 1285 CD GLN A 79 -14.977 -12.458 7.594 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.133 -13.227 8.522 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.649 -11.341 7.554 1.00 0.45 N ATOM 0 H GLN A 79 -11.691 -13.415 6.245 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.889 -12.013 4.020 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.571 -11.240 6.959 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.836 -10.714 5.866 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.549 -13.136 5.587 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.340 -13.601 6.767 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.519 -10.695 6.775 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.305 -11.113 8.301 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.173 -10.760 5.256 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.171 -9.708 4.968 1.00 0.38 C ATOM 1298 C LYS A 80 -8.483 -10.067 3.652 1.00 0.39 C ATOM 1299 O LYS A 80 -8.403 -9.271 2.738 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.142 -9.662 6.098 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.740 -8.948 7.311 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.886 -9.236 8.548 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.445 -8.465 9.745 1.00 0.51 C ATOM 1304 NZ LYS A 80 -9.708 -9.110 10.204 1.00 1.03 N ATOM 0 H LYS A 80 -9.900 -11.445 5.961 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.648 -8.731 4.891 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.842 -10.674 6.371 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.244 -9.142 5.764 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -8.784 -7.874 7.129 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.763 -9.285 7.476 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.883 -10.305 8.760 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -6.852 -8.944 8.365 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -7.716 -8.451 10.555 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -8.633 -7.428 9.468 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -10.517 -8.508 9.951 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -9.810 -10.038 9.746 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -9.679 -9.235 11.236 1.00 1.03 H new ATOM 1318 N VAL A 81 -8.001 -11.277 3.550 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.328 -11.726 2.304 1.00 0.47 C ATOM 1320 C VAL A 81 -8.241 -11.442 1.126 1.00 0.45 C ATOM 1321 O VAL A 81 -7.803 -11.323 0.012 1.00 0.46 O ATOM 1322 CB VAL A 81 -7.071 -13.231 2.377 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.278 -13.679 1.147 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.272 -13.558 3.639 1.00 0.56 C ATOM 0 H VAL A 81 -8.047 -11.979 4.288 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.382 -11.198 2.187 1.00 0.47 H new ATOM 0 HB VAL A 81 -8.027 -13.755 2.406 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -6.096 -14.752 1.202 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.847 -13.453 0.245 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.325 -13.151 1.116 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.091 -14.632 3.687 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.319 -13.030 3.613 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.836 -13.245 4.518 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.514 -11.355 1.367 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.469 -11.095 0.259 1.00 0.44 C ATOM 1336 C LEU A 82 -10.441 -9.636 -0.108 1.00 0.38 C ATOM 1337 O LEU A 82 -10.150 -9.279 -1.218 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.875 -11.497 0.730 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.049 -13.004 0.568 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -13.350 -13.457 1.252 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -12.072 -13.398 -0.931 1.00 0.54 C ATOM 0 H LEU A 82 -9.938 -11.453 2.289 1.00 0.44 H new ATOM 0 HA LEU A 82 -10.193 -11.675 -0.621 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -12.017 -11.213 1.773 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.631 -10.968 0.150 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.202 -13.502 1.040 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -13.468 -14.534 1.132 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -13.307 -13.212 2.313 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -14.198 -12.946 0.796 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -12.197 -14.477 -1.022 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -12.901 -12.894 -1.427 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -11.134 -13.101 -1.400 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.748 -8.796 0.802 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.740 -7.343 0.481 1.00 0.32 C ATOM 1355 C ASN A 83 -9.426 -6.981 -0.242 1.00 0.31 C ATOM 1356 O ASN A 83 -9.387 -6.087 -1.070 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.883 -6.524 1.784 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.787 -5.307 1.543 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.340 -4.179 1.597 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -13.048 -5.501 1.273 1.00 0.36 N ATOM 0 H ASN A 83 -11.007 -9.034 1.759 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.578 -7.107 -0.175 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -11.303 -7.149 2.572 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.902 -6.196 2.127 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.662 -4.704 1.106 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.420 -6.450 1.228 1.00 0.36 H new ATOM 1367 N VAL A 84 -8.352 -7.681 0.043 1.00 0.34 N ATOM 1368 CA VAL A 84 -7.059 -7.360 -0.651 1.00 0.37 C ATOM 1369 C VAL A 84 -6.980 -8.122 -1.958 1.00 0.39 C ATOM 1370 O VAL A 84 -6.453 -7.638 -2.922 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.845 -7.706 0.223 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.593 -7.087 -0.408 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -6.048 -7.129 1.634 1.00 0.40 C ATOM 0 H VAL A 84 -8.312 -8.448 0.714 1.00 0.34 H new ATOM 0 HA VAL A 84 -7.039 -6.287 -0.843 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.731 -8.788 0.291 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.722 -7.325 0.203 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.454 -7.490 -1.411 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.711 -6.005 -0.465 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -5.186 -7.374 2.255 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -6.154 -6.046 1.572 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.948 -7.557 2.076 1.00 0.40 H new ATOM 1383 N SER A 85 -7.505 -9.304 -2.007 1.00 0.41 N ATOM 1384 CA SER A 85 -7.460 -10.070 -3.274 1.00 0.46 C ATOM 1385 C SER A 85 -8.257 -9.289 -4.302 1.00 0.42 C ATOM 1386 O SER A 85 -8.021 -9.348 -5.485 1.00 0.45 O ATOM 1387 CB SER A 85 -8.092 -11.448 -3.075 1.00 0.50 C ATOM 1388 OG SER A 85 -9.483 -11.294 -2.826 1.00 0.53 O ATOM 0 H SER A 85 -7.963 -9.774 -1.227 1.00 0.41 H new ATOM 0 HA SER A 85 -6.430 -10.209 -3.601 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.935 -12.064 -3.960 1.00 0.50 H new ATOM 0 HB3 SER A 85 -7.616 -11.962 -2.240 1.00 0.50 H new ATOM 0 HG SER A 85 -9.629 -10.503 -2.266 1.00 0.53 H new ATOM 1394 N PHE A 86 -9.208 -8.555 -3.829 1.00 0.38 N ATOM 1395 CA PHE A 86 -10.074 -7.752 -4.726 1.00 0.36 C ATOM 1396 C PHE A 86 -9.310 -6.530 -5.231 1.00 0.34 C ATOM 1397 O PHE A 86 -9.166 -6.305 -6.412 1.00 0.35 O ATOM 1398 CB PHE A 86 -11.298 -7.305 -3.925 1.00 0.35 C ATOM 1399 CG PHE A 86 -12.025 -6.160 -4.604 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -12.062 -6.063 -6.001 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.674 -5.200 -3.820 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.749 -5.007 -6.610 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -13.359 -4.142 -4.430 1.00 0.32 C ATOM 1404 CZ PHE A 86 -13.397 -4.046 -5.825 1.00 0.32 C ATOM 0 H PHE A 86 -9.430 -8.473 -2.837 1.00 0.38 H new ATOM 0 HA PHE A 86 -10.380 -8.346 -5.587 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.979 -8.147 -3.802 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.987 -6.998 -2.927 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.561 -6.803 -6.608 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.647 -5.275 -2.743 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.779 -4.933 -7.687 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.858 -3.400 -3.824 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.926 -3.231 -6.296 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.816 -5.735 -4.343 1.00 0.32 N ATOM 1415 CA ALA A 87 -8.058 -4.538 -4.792 1.00 0.33 C ATOM 1416 C ALA A 87 -6.918 -5.030 -5.680 1.00 0.38 C ATOM 1417 O ALA A 87 -6.519 -4.393 -6.635 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.500 -3.805 -3.572 1.00 0.35 C ATOM 0 H ALA A 87 -8.899 -5.853 -3.333 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.698 -3.849 -5.343 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.943 -2.926 -3.898 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -8.322 -3.495 -2.927 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.836 -4.470 -3.020 1.00 0.35 H new ATOM 1424 N PHE A 88 -6.426 -6.191 -5.365 1.00 0.41 N ATOM 1425 CA PHE A 88 -5.334 -6.811 -6.140 1.00 0.48 C ATOM 1426 C PHE A 88 -5.906 -7.284 -7.457 1.00 0.48 C ATOM 1427 O PHE A 88 -5.194 -7.515 -8.402 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.811 -8.007 -5.344 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.946 -8.904 -6.207 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -4.544 -9.768 -7.135 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.554 -8.884 -6.067 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -3.752 -10.608 -7.921 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.761 -9.724 -6.856 1.00 0.73 C ATOM 1434 CZ PHE A 88 -2.362 -10.588 -7.783 1.00 0.74 C ATOM 0 H PHE A 88 -6.750 -6.750 -4.576 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.523 -6.106 -6.322 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -4.234 -7.654 -4.489 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.650 -8.579 -4.948 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -5.619 -9.784 -7.242 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -2.092 -8.221 -5.351 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -4.214 -11.273 -8.636 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -0.686 -9.707 -6.751 1.00 0.73 H new ATOM 0 HZ PHE A 88 -1.750 -11.238 -8.390 1.00 0.74 H new ATOM 1444 N GLU A 89 -7.190 -7.474 -7.516 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.793 -7.965 -8.785 1.00 0.46 C ATOM 1446 C GLU A 89 -7.918 -6.786 -9.748 1.00 0.43 C ATOM 1447 O GLU A 89 -7.523 -6.862 -10.899 1.00 0.47 O ATOM 1448 CB GLU A 89 -9.170 -8.594 -8.484 1.00 0.46 C ATOM 1449 CG GLU A 89 -9.007 -10.095 -8.223 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.897 -10.845 -9.554 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -9.823 -10.750 -10.343 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -7.889 -11.500 -9.760 1.00 0.60 O ATOM 0 H GLU A 89 -7.844 -7.313 -6.750 1.00 0.44 H new ATOM 0 HA GLU A 89 -7.167 -8.730 -9.244 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.619 -8.111 -7.616 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.846 -8.433 -9.324 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -8.117 -10.274 -7.620 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.858 -10.469 -7.654 1.00 0.51 H new ATOM 1459 N LEU A 90 -8.426 -5.683 -9.283 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.536 -4.505 -10.175 1.00 0.37 C ATOM 1461 C LEU A 90 -7.132 -3.977 -10.443 1.00 0.41 C ATOM 1462 O LEU A 90 -6.906 -3.239 -11.381 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.382 -3.414 -9.509 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.874 -3.772 -9.589 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.663 -2.800 -8.706 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -11.381 -3.680 -11.046 1.00 0.36 C ATOM 0 H LEU A 90 -8.767 -5.548 -8.331 1.00 0.38 H new ATOM 0 HA LEU A 90 -9.018 -4.791 -11.110 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -9.084 -3.299 -8.467 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -9.204 -2.457 -9.999 1.00 0.34 H new ATOM 0 HG LEU A 90 -11.015 -4.796 -9.242 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.724 -3.044 -8.754 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -11.318 -2.883 -7.675 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.509 -1.780 -9.059 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -12.440 -3.937 -11.080 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -11.243 -2.664 -11.416 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.819 -4.374 -11.671 1.00 0.36 H new ATOM 1478 N MET A 91 -6.174 -4.362 -9.637 1.00 0.43 N ATOM 1479 CA MET A 91 -4.778 -3.876 -9.879 1.00 0.49 C ATOM 1480 C MET A 91 -4.125 -4.806 -10.898 1.00 0.54 C ATOM 1481 O MET A 91 -3.555 -4.369 -11.878 1.00 0.58 O ATOM 1482 CB MET A 91 -3.979 -3.861 -8.556 1.00 0.52 C ATOM 1483 CG MET A 91 -3.811 -2.422 -8.047 1.00 0.48 C ATOM 1484 SD MET A 91 -2.797 -2.426 -6.545 1.00 0.55 S ATOM 1485 CE MET A 91 -4.148 -2.360 -5.342 1.00 0.60 C ATOM 0 H MET A 91 -6.293 -4.981 -8.835 1.00 0.43 H new ATOM 0 HA MET A 91 -4.792 -2.857 -10.265 1.00 0.49 H new ATOM 0 HB2 MET A 91 -4.495 -4.461 -7.806 1.00 0.52 H new ATOM 0 HB3 MET A 91 -3.000 -4.315 -8.710 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.341 -1.806 -8.814 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.786 -1.982 -7.839 1.00 0.48 H new ATOM 0 HE1 MET A 91 -4.101 -1.419 -4.794 1.00 0.60 H new ATOM 0 HE2 MET A 91 -5.103 -2.429 -5.863 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.055 -3.192 -4.644 1.00 0.60 H new ATOM 1495 N GLN A 92 -4.230 -6.088 -10.691 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.644 -7.044 -11.667 1.00 0.62 C ATOM 1497 C GLN A 92 -4.155 -6.650 -13.047 1.00 0.61 C ATOM 1498 O GLN A 92 -3.494 -6.830 -14.050 1.00 0.69 O ATOM 1499 CB GLN A 92 -4.089 -8.472 -11.326 1.00 0.64 C ATOM 1500 CG GLN A 92 -3.198 -9.483 -12.054 1.00 0.66 C ATOM 1501 CD GLN A 92 -3.452 -9.399 -13.560 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -4.556 -9.126 -13.987 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -2.470 -9.624 -14.389 1.00 0.67 N ATOM 0 H GLN A 92 -4.696 -6.514 -9.889 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.555 -7.013 -11.638 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -4.032 -8.633 -10.249 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -5.130 -8.617 -11.615 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.149 -9.279 -11.840 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.406 -10.491 -11.695 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -1.543 -9.853 -14.031 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -2.629 -9.571 -15.395 1.00 0.67 H new ATOM 1512 N ASP A 93 -5.331 -6.075 -13.091 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.892 -5.625 -14.391 1.00 0.54 C ATOM 1514 C ASP A 93 -5.328 -4.240 -14.682 1.00 0.55 C ATOM 1515 O ASP A 93 -4.763 -3.983 -15.727 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.428 -5.560 -14.277 1.00 0.50 C ATOM 1517 CG ASP A 93 -8.080 -5.942 -15.612 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.980 -7.098 -15.989 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -8.667 -5.070 -16.232 1.00 0.75 O ATOM 0 H ASP A 93 -5.923 -5.900 -12.279 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.628 -6.313 -15.195 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.770 -6.235 -13.492 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.735 -4.555 -13.989 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.471 -3.353 -13.745 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.940 -1.979 -13.931 1.00 0.61 C ATOM 1526 C GLY A 94 -3.435 -2.053 -14.202 1.00 0.73 C ATOM 1527 O GLY A 94 -2.797 -1.049 -14.452 1.00 0.82 O ATOM 0 H GLY A 94 -5.935 -3.521 -12.852 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.448 -1.490 -14.762 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.132 -1.378 -13.042 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.863 -3.239 -14.164 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.389 -3.384 -14.432 1.00 0.94 C ATOM 1533 C GLY A 95 -0.702 -4.126 -13.278 1.00 0.92 C ATOM 1534 O GLY A 95 -0.764 -5.334 -13.186 1.00 0.91 O ATOM 0 H GLY A 95 -3.351 -4.111 -13.960 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -1.235 -3.927 -15.364 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.938 -2.400 -14.559 1.00 0.94 H new ATOM 1538 N LEU A 96 -0.036 -3.401 -12.408 1.00 0.92 N ATOM 1539 CA LEU A 96 0.679 -4.029 -11.249 1.00 0.91 C ATOM 1540 C LEU A 96 1.811 -4.946 -11.729 1.00 0.94 C ATOM 1541 O LEU A 96 2.773 -5.173 -11.024 1.00 0.95 O ATOM 1542 CB LEU A 96 -0.306 -4.839 -10.412 1.00 0.89 C ATOM 1543 CG LEU A 96 0.333 -5.199 -9.056 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.503 -3.935 -8.185 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.550 -6.223 -8.319 1.00 0.86 C ATOM 0 H LEU A 96 0.043 -2.385 -12.453 1.00 0.92 H new ATOM 0 HA LEU A 96 1.111 -3.231 -10.645 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -1.219 -4.266 -10.253 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.588 -5.748 -10.944 1.00 0.89 H new ATOM 0 HG LEU A 96 1.316 -5.632 -9.239 1.00 0.87 H new ATOM 0 HD11 LEU A 96 0.955 -4.208 -7.232 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.146 -3.222 -8.701 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -0.472 -3.482 -8.007 1.00 0.93 H new ATOM 0 HD21 LEU A 96 -0.094 -6.474 -7.361 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -1.538 -5.796 -8.149 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.643 -7.125 -8.924 1.00 0.86 H new ATOM 1557 N GLU A 97 1.700 -5.471 -12.911 1.00 0.96 N ATOM 1558 CA GLU A 97 2.760 -6.375 -13.452 1.00 1.00 C ATOM 1559 C GLU A 97 2.947 -7.592 -12.539 1.00 0.99 C ATOM 1560 O GLU A 97 2.683 -7.541 -11.355 1.00 0.99 O ATOM 1561 CB GLU A 97 4.081 -5.612 -13.574 1.00 1.05 C ATOM 1562 CG GLU A 97 3.839 -4.311 -14.339 1.00 1.13 C ATOM 1563 CD GLU A 97 5.181 -3.703 -14.754 1.00 1.25 C ATOM 1564 OE1 GLU A 97 6.198 -4.189 -14.287 1.00 1.27 O ATOM 1565 OE2 GLU A 97 5.168 -2.765 -15.533 1.00 1.37 O ATOM 0 H GLU A 97 0.911 -5.314 -13.539 1.00 0.96 H new ATOM 0 HA GLU A 97 2.450 -6.722 -14.438 1.00 1.00 H new ATOM 0 HB2 GLU A 97 4.484 -5.397 -12.584 1.00 1.05 H new ATOM 0 HB3 GLU A 97 4.821 -6.221 -14.093 1.00 1.05 H new ATOM 0 HG2 GLU A 97 3.227 -4.504 -15.220 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.287 -3.608 -13.715 1.00 1.13 H new ATOM 1572 N LYS A 98 3.399 -8.682 -13.112 1.00 1.02 N ATOM 1573 CA LYS A 98 3.623 -9.954 -12.349 1.00 1.01 C ATOM 1574 C LYS A 98 4.043 -9.681 -10.886 1.00 1.00 C ATOM 1575 O LYS A 98 5.207 -9.437 -10.636 1.00 1.04 O ATOM 1576 CB LYS A 98 4.751 -10.728 -13.034 1.00 1.08 C ATOM 1577 CG LYS A 98 4.324 -11.106 -14.454 1.00 1.09 C ATOM 1578 CD LYS A 98 5.367 -12.043 -15.066 1.00 1.13 C ATOM 1579 CE LYS A 98 5.103 -12.195 -16.566 1.00 1.16 C ATOM 1580 NZ LYS A 98 5.503 -10.943 -17.270 1.00 1.18 N ATOM 0 H LYS A 98 3.628 -8.745 -14.104 1.00 1.02 H new ATOM 0 HA LYS A 98 2.690 -10.517 -12.338 1.00 1.01 H new ATOM 0 HB2 LYS A 98 5.656 -10.121 -13.065 1.00 1.08 H new ATOM 0 HB3 LYS A 98 4.989 -11.626 -12.463 1.00 1.08 H new ATOM 0 HG2 LYS A 98 3.349 -11.592 -14.435 1.00 1.09 H new ATOM 0 HG3 LYS A 98 4.221 -10.210 -15.065 1.00 1.09 H new ATOM 0 HD2 LYS A 98 6.369 -11.646 -14.901 1.00 1.13 H new ATOM 0 HD3 LYS A 98 5.326 -13.017 -14.579 1.00 1.13 H new ATOM 0 HE2 LYS A 98 5.664 -13.042 -16.961 1.00 1.16 H new ATOM 0 HE3 LYS A 98 4.047 -12.402 -16.741 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 5.666 -11.148 -18.277 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 4.746 -10.236 -17.179 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 6.377 -10.571 -16.846 1.00 1.18 H new ATOM 1594 N PRO A 99 3.109 -9.744 -9.947 1.00 0.93 N ATOM 1595 CA PRO A 99 3.434 -9.517 -8.523 1.00 0.91 C ATOM 1596 C PRO A 99 4.200 -10.728 -7.978 1.00 0.98 C ATOM 1597 O PRO A 99 4.222 -11.779 -8.588 1.00 1.02 O ATOM 1598 CB PRO A 99 2.071 -9.374 -7.818 1.00 0.84 C ATOM 1599 CG PRO A 99 0.976 -9.762 -8.854 1.00 0.82 C ATOM 1600 CD PRO A 99 1.680 -10.026 -10.205 1.00 0.88 C ATOM 0 HA PRO A 99 4.059 -8.638 -8.367 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.020 -10.022 -6.943 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.924 -8.353 -7.467 1.00 0.84 H new ATOM 0 HG2 PRO A 99 0.435 -10.649 -8.525 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.243 -8.961 -8.954 1.00 0.82 H new ATOM 0 HD2 PRO A 99 1.533 -11.055 -10.534 1.00 0.88 H new ATOM 0 HD3 PRO A 99 1.285 -9.381 -10.990 1.00 0.88 H new ATOM 1608 N LYS A 100 4.829 -10.580 -6.836 1.00 0.98 N ATOM 1609 CA LYS A 100 5.608 -11.720 -6.238 1.00 1.05 C ATOM 1610 C LYS A 100 4.927 -12.248 -4.952 1.00 1.02 C ATOM 1611 O LYS A 100 4.767 -13.445 -4.816 1.00 1.04 O ATOM 1612 CB LYS A 100 7.059 -11.251 -5.948 1.00 1.11 C ATOM 1613 CG LYS A 100 8.066 -12.095 -6.747 1.00 1.18 C ATOM 1614 CD LYS A 100 9.492 -11.757 -6.304 1.00 1.25 C ATOM 1615 CE LYS A 100 9.746 -10.255 -6.465 1.00 1.22 C ATOM 1616 NZ LYS A 100 11.211 -10.012 -6.578 1.00 1.30 N ATOM 0 H LYS A 100 4.839 -9.719 -6.289 1.00 0.98 H new ATOM 0 HA LYS A 100 5.634 -12.545 -6.950 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.167 -10.199 -6.211 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.269 -11.336 -4.882 1.00 1.11 H new ATOM 0 HG2 LYS A 100 7.869 -13.156 -6.592 1.00 1.18 H new ATOM 0 HG3 LYS A 100 7.951 -11.902 -7.814 1.00 1.18 H new ATOM 0 HD2 LYS A 100 9.638 -12.050 -5.264 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.210 -12.322 -6.898 1.00 1.25 H new ATOM 0 HE2 LYS A 100 9.234 -9.881 -7.352 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.341 -9.713 -5.611 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 11.386 -8.993 -6.687 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 11.687 -10.355 -5.719 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 11.584 -10.518 -7.406 1.00 1.30 H new ATOM 1630 N PRO A 101 4.555 -11.376 -4.034 1.00 0.97 N ATOM 1631 CA PRO A 101 3.918 -11.817 -2.780 1.00 0.95 C ATOM 1632 C PRO A 101 2.438 -12.136 -3.056 1.00 0.89 C ATOM 1633 O PRO A 101 2.055 -12.318 -4.194 1.00 0.89 O ATOM 1634 CB PRO A 101 4.124 -10.627 -1.830 1.00 0.92 C ATOM 1635 CG PRO A 101 4.471 -9.397 -2.698 1.00 0.92 C ATOM 1636 CD PRO A 101 4.724 -9.910 -4.138 1.00 0.95 C ATOM 0 HA PRO A 101 4.333 -12.727 -2.347 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.223 -10.442 -1.245 1.00 0.92 H new ATOM 0 HB3 PRO A 101 4.926 -10.836 -1.122 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.655 -8.674 -2.685 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.354 -8.889 -2.310 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.017 -9.477 -4.845 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.724 -9.648 -4.485 1.00 0.95 H new ATOM 1644 N ARG A 102 1.610 -12.258 -2.042 1.00 0.84 N ATOM 1645 CA ARG A 102 0.172 -12.625 -2.279 1.00 0.79 C ATOM 1646 C ARG A 102 -0.760 -11.802 -1.356 1.00 0.71 C ATOM 1647 O ARG A 102 -0.344 -11.406 -0.286 1.00 0.71 O ATOM 1648 CB ARG A 102 0.034 -14.117 -1.951 1.00 0.83 C ATOM 1649 CG ARG A 102 1.241 -14.855 -2.521 1.00 0.92 C ATOM 1650 CD ARG A 102 0.991 -16.363 -2.475 1.00 0.96 C ATOM 1651 NE ARG A 102 2.188 -17.082 -2.995 1.00 1.05 N ATOM 1652 CZ ARG A 102 2.321 -18.362 -2.785 1.00 1.11 C ATOM 1653 NH1 ARG A 102 1.403 -19.014 -2.125 1.00 1.09 N ATOM 1654 NH2 ARG A 102 3.372 -18.992 -3.236 1.00 1.18 N ATOM 0 H ARG A 102 1.866 -12.120 -1.064 1.00 0.84 H new ATOM 0 HA ARG A 102 -0.111 -12.415 -3.311 1.00 0.79 H new ATOM 0 HB2 ARG A 102 -0.024 -14.263 -0.872 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.888 -14.514 -2.376 1.00 0.83 H new ATOM 0 HG2 ARG A 102 1.422 -14.538 -3.548 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.135 -14.607 -1.949 1.00 0.92 H new ATOM 0 HD2 ARG A 102 0.781 -16.676 -1.452 1.00 0.96 H new ATOM 0 HD3 ARG A 102 0.114 -16.615 -3.072 1.00 0.96 H new ATOM 0 HE ARG A 102 2.903 -16.573 -3.515 1.00 1.05 H new ATOM 0 HH11 ARG A 102 0.581 -18.522 -1.773 1.00 1.09 H new ATOM 0 HH12 ARG A 102 1.507 -20.015 -1.961 1.00 1.09 H new ATOM 0 HH21 ARG A 102 4.089 -18.483 -3.753 1.00 1.18 H new ATOM 0 HH22 ARG A 102 3.476 -19.993 -3.072 1.00 1.18 H new ATOM 1668 N PRO A 103 -2.008 -11.591 -1.774 1.00 0.66 N ATOM 1669 CA PRO A 103 -3.000 -10.849 -0.961 1.00 0.59 C ATOM 1670 C PRO A 103 -2.860 -11.234 0.514 1.00 0.59 C ATOM 1671 O PRO A 103 -3.236 -10.497 1.402 1.00 0.55 O ATOM 1672 CB PRO A 103 -4.354 -11.278 -1.551 1.00 0.57 C ATOM 1673 CG PRO A 103 -4.058 -11.807 -2.981 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.539 -12.068 -3.067 1.00 0.67 C ATOM 0 HA PRO A 103 -2.875 -9.767 -0.994 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.818 -12.051 -0.939 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -5.048 -10.438 -1.583 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.617 -12.722 -3.176 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -4.366 -11.079 -3.732 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -2.326 -13.126 -3.217 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -2.091 -11.531 -3.903 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.288 -12.373 0.773 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.086 -12.802 2.179 1.00 0.65 C ATOM 1684 C GLU A 104 -0.878 -12.057 2.737 1.00 0.67 C ATOM 1685 O GLU A 104 -0.972 -11.320 3.693 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.812 -14.309 2.209 1.00 0.71 C ATOM 1687 CG GLU A 104 -3.068 -15.068 1.775 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.887 -16.561 2.054 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -3.064 -16.957 3.194 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -2.574 -17.284 1.122 1.00 0.81 O ATOM 0 H GLU A 104 -1.950 -13.028 0.067 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.972 -12.583 2.775 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.981 -14.551 1.546 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.518 -14.616 3.213 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.938 -14.690 2.313 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.254 -14.906 0.713 1.00 0.71 H new ATOM 1697 N ASP A 105 0.250 -12.246 2.113 1.00 0.73 N ATOM 1698 CA ASP A 105 1.510 -11.578 2.544 1.00 0.78 C ATOM 1699 C ASP A 105 1.230 -10.114 2.898 1.00 0.73 C ATOM 1700 O ASP A 105 1.884 -9.527 3.730 1.00 0.77 O ATOM 1701 CB ASP A 105 2.504 -11.641 1.377 1.00 0.83 C ATOM 1702 CG ASP A 105 2.428 -13.014 0.703 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.761 -13.884 1.239 1.00 0.94 O ATOM 1704 OD2 ASP A 105 3.047 -13.175 -0.335 1.00 0.86 O ATOM 0 H ASP A 105 0.354 -12.853 1.300 1.00 0.73 H new ATOM 0 HA ASP A 105 1.918 -12.078 3.422 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.279 -10.858 0.653 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.516 -11.459 1.739 1.00 0.83 H new ATOM 1709 N ILE A 106 0.255 -9.529 2.276 1.00 0.67 N ATOM 1710 CA ILE A 106 -0.080 -8.102 2.578 1.00 0.64 C ATOM 1711 C ILE A 106 -0.912 -8.087 3.866 1.00 0.59 C ATOM 1712 O ILE A 106 -0.448 -7.652 4.901 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.859 -7.448 1.389 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.789 -8.331 0.132 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.254 -6.083 1.033 1.00 0.62 C ATOM 1716 CD1 ILE A 106 0.655 -8.425 -0.382 1.00 0.72 C ATOM 0 H ILE A 106 -0.331 -9.971 1.568 1.00 0.67 H new ATOM 0 HA ILE A 106 0.829 -7.517 2.714 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.895 -7.334 1.709 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -1.165 -9.328 0.360 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.431 -7.918 -0.646 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.809 -5.644 0.204 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.311 -5.423 1.898 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.789 -6.212 0.743 1.00 0.62 H new ATOM 0 HD11 ILE A 106 0.684 -9.054 -1.272 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.018 -7.428 -0.630 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.289 -8.860 0.391 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.122 -8.593 3.823 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.963 -8.649 5.064 1.00 0.51 C ATOM 1730 C VAL A 107 -2.095 -9.145 6.231 1.00 0.53 C ATOM 1731 O VAL A 107 -2.339 -8.842 7.382 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.072 -9.689 4.826 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.759 -10.103 6.141 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.106 -9.122 3.863 1.00 0.46 C ATOM 0 H VAL A 107 -2.564 -8.969 2.984 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.377 -7.667 5.291 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.610 -10.578 4.397 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.536 -10.838 5.930 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.021 -10.538 6.816 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.207 -9.226 6.609 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.891 -9.860 3.696 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.543 -8.218 4.289 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.626 -8.881 2.914 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.111 -9.946 5.926 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.237 -10.528 6.988 1.00 0.63 C ATOM 1746 C ASN A 108 0.442 -9.419 7.806 1.00 0.63 C ATOM 1747 O ASN A 108 1.312 -9.686 8.611 1.00 0.66 O ATOM 1748 CB ASN A 108 0.840 -11.418 6.318 1.00 0.69 C ATOM 1749 CG ASN A 108 1.134 -12.647 7.189 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.966 -12.595 8.073 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.482 -13.757 6.972 1.00 1.35 N ATOM 0 H ASN A 108 -0.871 -10.226 4.975 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.849 -11.124 7.665 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.498 -11.736 5.333 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.754 -10.843 6.168 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.671 -14.580 7.544 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.217 -13.801 6.230 1.00 1.35 H new ATOM 1758 N CYS A 109 0.058 -8.188 7.621 1.00 0.61 N ATOM 1759 CA CYS A 109 0.690 -7.091 8.406 1.00 0.63 C ATOM 1760 C CYS A 109 2.214 -7.156 8.255 1.00 0.70 C ATOM 1761 O CYS A 109 2.931 -6.371 8.844 1.00 0.85 O ATOM 1762 CB CYS A 109 0.318 -7.250 9.883 1.00 0.62 C ATOM 1763 SG CYS A 109 0.841 -5.782 10.802 1.00 0.66 S ATOM 0 H CYS A 109 -0.664 -7.894 6.963 1.00 0.61 H new ATOM 0 HA CYS A 109 0.334 -6.129 8.037 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.758 -7.391 9.984 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.796 -8.139 10.295 1.00 0.62 H new ATOM 0 HG CYS A 109 2.011 -5.402 10.383 1.00 0.66 H new ATOM 1769 N ASP A 110 2.725 -8.069 7.464 1.00 0.72 N ATOM 1770 CA ASP A 110 4.193 -8.137 7.291 1.00 0.79 C ATOM 1771 C ASP A 110 4.613 -6.959 6.436 1.00 0.81 C ATOM 1772 O ASP A 110 3.831 -6.406 5.690 1.00 0.80 O ATOM 1773 CB ASP A 110 4.613 -9.451 6.613 1.00 0.84 C ATOM 1774 CG ASP A 110 3.986 -9.564 5.222 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.859 -8.548 4.560 1.00 0.98 O ATOM 1776 OD2 ASP A 110 3.653 -10.672 4.837 1.00 0.88 O ATOM 0 H ASP A 110 2.188 -8.759 6.939 1.00 0.72 H new ATOM 0 HA ASP A 110 4.678 -8.103 8.267 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.699 -9.494 6.533 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.305 -10.298 7.226 1.00 0.84 H new ATOM 1781 N LEU A 111 5.836 -6.570 6.541 1.00 0.89 N ATOM 1782 CA LEU A 111 6.333 -5.428 5.749 1.00 0.93 C ATOM 1783 C LEU A 111 7.032 -5.955 4.507 1.00 0.97 C ATOM 1784 O LEU A 111 6.791 -5.519 3.422 1.00 0.96 O ATOM 1785 CB LEU A 111 7.330 -4.644 6.601 1.00 1.02 C ATOM 1786 CG LEU A 111 6.584 -3.823 7.665 1.00 1.06 C ATOM 1787 CD1 LEU A 111 7.593 -3.305 8.694 1.00 1.09 C ATOM 1788 CD2 LEU A 111 5.845 -2.631 7.016 1.00 1.12 C ATOM 0 H LEU A 111 6.528 -7.001 7.153 1.00 0.89 H new ATOM 0 HA LEU A 111 5.507 -4.781 5.454 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.027 -5.330 7.082 1.00 1.02 H new ATOM 0 HB3 LEU A 111 7.920 -3.982 5.967 1.00 1.02 H new ATOM 0 HG LEU A 111 5.846 -4.460 8.153 1.00 1.06 H new ATOM 0 HD11 LEU A 111 7.072 -2.721 9.453 1.00 1.09 H new ATOM 0 HD12 LEU A 111 8.096 -4.148 9.167 1.00 1.09 H new ATOM 0 HD13 LEU A 111 8.331 -2.676 8.196 1.00 1.09 H new ATOM 0 HD21 LEU A 111 5.324 -2.063 7.786 1.00 1.12 H new ATOM 0 HD22 LEU A 111 6.566 -1.985 6.515 1.00 1.12 H new ATOM 0 HD23 LEU A 111 5.123 -3.003 6.288 1.00 1.12 H new ATOM 1800 N LYS A 112 7.917 -6.878 4.686 1.00 1.00 N ATOM 1801 CA LYS A 112 8.698 -7.435 3.549 1.00 1.04 C ATOM 1802 C LYS A 112 7.915 -7.489 2.235 1.00 1.02 C ATOM 1803 O LYS A 112 8.070 -6.660 1.360 1.00 1.04 O ATOM 1804 CB LYS A 112 9.090 -8.856 3.943 1.00 1.06 C ATOM 1805 CG LYS A 112 9.961 -9.484 2.847 1.00 1.12 C ATOM 1806 CD LYS A 112 10.858 -10.572 3.450 1.00 1.15 C ATOM 1807 CE LYS A 112 11.562 -11.337 2.327 1.00 1.20 C ATOM 1808 NZ LYS A 112 12.223 -12.548 2.889 1.00 1.17 N ATOM 0 H LYS A 112 8.143 -7.285 5.594 1.00 1.00 H new ATOM 0 HA LYS A 112 9.554 -6.785 3.369 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.633 -8.843 4.888 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.195 -9.459 4.098 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.329 -9.912 2.069 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.574 -8.717 2.374 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.595 -10.122 4.115 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.261 -11.257 4.052 1.00 1.15 H new ATOM 0 HE2 LYS A 112 10.841 -11.625 1.562 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.301 -10.697 1.844 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 12.701 -13.068 2.126 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 12.922 -12.262 3.604 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 11.508 -13.161 3.330 1.00 1.17 H new ATOM 1822 N SER A 113 7.087 -8.458 2.097 1.00 0.98 N ATOM 1823 CA SER A 113 6.297 -8.620 0.851 1.00 0.96 C ATOM 1824 C SER A 113 5.543 -7.330 0.504 1.00 0.92 C ATOM 1825 O SER A 113 5.678 -6.750 -0.562 1.00 0.94 O ATOM 1826 CB SER A 113 5.293 -9.719 1.141 1.00 0.92 C ATOM 1827 OG SER A 113 4.976 -9.699 2.526 1.00 0.90 O ATOM 0 H SER A 113 6.912 -9.169 2.807 1.00 0.98 H new ATOM 0 HA SER A 113 6.947 -8.856 0.009 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.392 -9.573 0.546 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.705 -10.689 0.863 1.00 0.92 H new ATOM 0 HG SER A 113 4.172 -9.157 2.670 1.00 0.90 H new ATOM 1833 N THR A 114 4.733 -6.916 1.414 1.00 0.88 N ATOM 1834 CA THR A 114 3.907 -5.694 1.243 1.00 0.85 C ATOM 1835 C THR A 114 4.742 -4.610 0.567 1.00 0.89 C ATOM 1836 O THR A 114 4.284 -3.900 -0.295 1.00 0.89 O ATOM 1837 CB THR A 114 3.408 -5.256 2.653 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.994 -5.140 2.636 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.006 -3.912 3.098 1.00 0.84 C ATOM 0 H THR A 114 4.599 -7.388 2.308 1.00 0.88 H new ATOM 0 HA THR A 114 3.042 -5.880 0.606 1.00 0.85 H new ATOM 0 HB THR A 114 3.732 -6.018 3.361 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.678 -4.866 3.522 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.626 -3.654 4.086 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.092 -3.992 3.137 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.725 -3.135 2.387 1.00 0.84 H new ATOM 1847 N LEU A 115 5.959 -4.489 0.971 1.00 0.95 N ATOM 1848 CA LEU A 115 6.846 -3.465 0.395 1.00 1.00 C ATOM 1849 C LEU A 115 7.076 -3.776 -1.074 1.00 1.02 C ATOM 1850 O LEU A 115 6.931 -2.915 -1.905 1.00 1.02 O ATOM 1851 CB LEU A 115 8.187 -3.464 1.163 1.00 1.06 C ATOM 1852 CG LEU A 115 8.286 -2.222 2.072 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.337 -2.455 3.171 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.684 -0.998 1.219 1.00 1.06 C ATOM 0 H LEU A 115 6.387 -5.069 1.692 1.00 0.95 H new ATOM 0 HA LEU A 115 6.389 -2.479 0.481 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.270 -4.370 1.764 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.018 -3.473 0.457 1.00 1.06 H new ATOM 0 HG LEU A 115 7.320 -2.041 2.543 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.400 -1.572 3.808 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.049 -3.317 3.773 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.308 -2.641 2.712 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.755 -0.117 1.857 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.649 -1.182 0.746 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.930 -0.829 0.451 1.00 1.06 H new ATOM 1866 N ARG A 116 7.433 -4.988 -1.418 1.00 1.03 N ATOM 1867 CA ARG A 116 7.664 -5.277 -2.855 1.00 1.05 C ATOM 1868 C ARG A 116 6.521 -4.684 -3.710 1.00 1.01 C ATOM 1869 O ARG A 116 6.743 -3.947 -4.655 1.00 1.04 O ATOM 1870 CB ARG A 116 7.709 -6.797 -3.034 1.00 1.04 C ATOM 1871 CG ARG A 116 9.128 -7.346 -2.781 1.00 1.10 C ATOM 1872 CD ARG A 116 9.460 -7.332 -1.280 1.00 1.10 C ATOM 1873 NE ARG A 116 10.042 -5.991 -0.943 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.503 -5.738 0.250 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.431 -6.642 1.184 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.056 -4.584 0.506 1.00 1.23 N ATOM 0 H ARG A 116 7.571 -5.770 -0.778 1.00 1.03 H new ATOM 0 HA ARG A 116 8.603 -4.828 -3.179 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.006 -7.268 -2.347 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.390 -7.057 -4.043 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.203 -8.363 -3.165 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.857 -6.746 -3.325 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.562 -7.516 -0.690 1.00 1.10 H new ATOM 0 HD3 ARG A 116 10.168 -8.125 -1.039 1.00 1.10 H new ATOM 0 HE ARG A 116 10.078 -5.265 -1.659 1.00 1.16 H new ATOM 0 HH11 ARG A 116 10.013 -7.551 0.983 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.792 -6.442 2.117 1.00 1.13 H new ATOM 0 HH21 ARG A 116 11.128 -3.879 -0.228 1.00 1.23 H new ATOM 0 HH22 ARG A 116 11.416 -4.387 1.440 1.00 1.23 H new ATOM 1890 N VAL A 117 5.310 -5.028 -3.390 1.00 0.95 N ATOM 1891 CA VAL A 117 4.137 -4.538 -4.182 1.00 0.91 C ATOM 1892 C VAL A 117 3.890 -3.027 -4.016 1.00 0.92 C ATOM 1893 O VAL A 117 3.776 -2.310 -4.988 1.00 0.94 O ATOM 1894 CB VAL A 117 2.884 -5.331 -3.747 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.601 -4.593 -4.159 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.900 -6.712 -4.414 1.00 0.85 C ATOM 0 H VAL A 117 5.072 -5.635 -2.605 1.00 0.95 H new ATOM 0 HA VAL A 117 4.353 -4.700 -5.238 1.00 0.91 H new ATOM 0 HB VAL A 117 2.899 -5.434 -2.662 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.732 -5.170 -3.843 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.578 -3.612 -3.685 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.582 -4.473 -5.242 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.017 -7.274 -4.109 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.898 -6.593 -5.497 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.797 -7.252 -4.110 1.00 0.85 H new ATOM 1906 N LEU A 118 3.767 -2.543 -2.817 1.00 0.91 N ATOM 1907 CA LEU A 118 3.477 -1.091 -2.633 1.00 0.92 C ATOM 1908 C LEU A 118 4.537 -0.267 -3.350 1.00 0.98 C ATOM 1909 O LEU A 118 4.247 0.760 -3.922 1.00 1.00 O ATOM 1910 CB LEU A 118 3.406 -0.748 -1.128 1.00 0.92 C ATOM 1911 CG LEU A 118 1.950 -0.954 -0.592 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.970 -1.689 0.748 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.261 0.407 -0.408 1.00 0.81 C ATOM 0 H LEU A 118 3.853 -3.084 -1.956 1.00 0.91 H new ATOM 0 HA LEU A 118 2.507 -0.850 -3.069 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.098 -1.379 -0.571 1.00 0.92 H new ATOM 0 HB3 LEU A 118 3.717 0.284 -0.968 1.00 0.92 H new ATOM 0 HG LEU A 118 1.400 -1.551 -1.319 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.949 -1.823 1.105 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.441 -2.664 0.621 1.00 0.86 H new ATOM 0 HD13 LEU A 118 2.535 -1.105 1.475 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.248 0.255 -0.035 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.825 1.007 0.307 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.220 0.927 -1.365 1.00 0.81 H new ATOM 1925 N TYR A 119 5.748 -0.722 -3.369 1.00 1.03 N ATOM 1926 CA TYR A 119 6.793 0.020 -4.101 1.00 1.09 C ATOM 1927 C TYR A 119 6.350 0.080 -5.550 1.00 1.08 C ATOM 1928 O TYR A 119 6.286 1.121 -6.164 1.00 1.11 O ATOM 1929 CB TYR A 119 8.097 -0.759 -4.013 1.00 1.13 C ATOM 1930 CG TYR A 119 9.214 0.075 -4.563 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.797 1.065 -3.774 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.659 -0.146 -5.861 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.841 1.843 -4.290 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.702 0.627 -6.386 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.294 1.623 -5.599 1.00 1.34 C ATOM 1936 OH TYR A 119 12.323 2.387 -6.111 1.00 1.41 O ATOM 0 H TYR A 119 6.060 -1.577 -2.908 1.00 1.03 H new ATOM 0 HA TYR A 119 6.940 1.019 -3.690 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.304 -1.026 -2.977 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.015 -1.691 -4.572 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.444 1.232 -2.767 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.200 -0.915 -6.465 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.296 2.610 -3.681 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.049 0.456 -7.394 1.00 1.31 H new ATOM 0 HH TYR A 119 12.514 2.105 -7.030 1.00 1.41 H new ATOM 1946 N ASN A 120 6.032 -1.059 -6.079 1.00 1.06 N ATOM 1947 CA ASN A 120 5.564 -1.148 -7.487 1.00 1.05 C ATOM 1948 C ASN A 120 4.536 -0.026 -7.763 1.00 1.03 C ATOM 1949 O ASN A 120 4.614 0.666 -8.761 1.00 1.05 O ATOM 1950 CB ASN A 120 4.923 -2.542 -7.681 1.00 1.01 C ATOM 1951 CG ASN A 120 5.296 -3.117 -9.054 1.00 1.04 C ATOM 1952 OD1 ASN A 120 4.769 -2.698 -10.065 1.00 1.06 O ATOM 1953 ND2 ASN A 120 6.190 -4.065 -9.130 1.00 1.06 N ATOM 0 H ASN A 120 6.076 -1.952 -5.588 1.00 1.06 H new ATOM 0 HA ASN A 120 6.392 -1.022 -8.184 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.260 -3.217 -6.894 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.839 -2.466 -7.594 1.00 1.01 H new ATOM 0 HD21 ASN A 120 6.446 -4.453 -10.038 1.00 1.06 H new ATOM 0 HD22 ASN A 120 6.633 -4.417 -8.282 1.00 1.06 H new ATOM 1960 N LEU A 121 3.581 0.169 -6.889 1.00 0.99 N ATOM 1961 CA LEU A 121 2.584 1.239 -7.112 1.00 0.97 C ATOM 1962 C LEU A 121 3.283 2.586 -7.027 1.00 1.03 C ATOM 1963 O LEU A 121 3.298 3.320 -7.983 1.00 1.05 O ATOM 1964 CB LEU A 121 1.489 1.184 -6.042 1.00 0.92 C ATOM 1965 CG LEU A 121 0.471 0.049 -6.303 1.00 0.87 C ATOM 1966 CD1 LEU A 121 -0.120 0.142 -7.718 1.00 0.86 C ATOM 1967 CD2 LEU A 121 1.151 -1.310 -6.120 1.00 0.87 C ATOM 0 H LEU A 121 3.455 -0.371 -6.033 1.00 0.99 H new ATOM 0 HA LEU A 121 2.130 1.101 -8.093 1.00 0.97 H new ATOM 0 HB2 LEU A 121 1.947 1.041 -5.063 1.00 0.92 H new ATOM 0 HB3 LEU A 121 0.965 2.139 -6.012 1.00 0.92 H new ATOM 0 HG LEU A 121 -0.343 0.155 -5.586 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -0.831 -0.670 -7.869 1.00 0.86 H new ATOM 0 HD12 LEU A 121 -0.630 1.098 -7.837 1.00 0.86 H new ATOM 0 HD13 LEU A 121 0.681 0.064 -8.453 1.00 0.86 H new ATOM 0 HD21 LEU A 121 0.429 -2.106 -6.305 1.00 0.87 H new ATOM 0 HD22 LEU A 121 1.979 -1.400 -6.823 1.00 0.87 H new ATOM 0 HD23 LEU A 121 1.530 -1.393 -5.101 1.00 0.87 H new ATOM 1979 N PHE A 122 3.852 2.928 -5.889 1.00 1.05 N ATOM 1980 CA PHE A 122 4.536 4.238 -5.756 1.00 1.11 C ATOM 1981 C PHE A 122 5.313 4.549 -7.013 1.00 1.16 C ATOM 1982 O PHE A 122 5.563 5.682 -7.343 1.00 1.20 O ATOM 1983 CB PHE A 122 5.517 4.154 -4.567 1.00 1.14 C ATOM 1984 CG PHE A 122 5.694 5.512 -3.960 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.590 6.118 -3.405 1.00 1.16 C ATOM 1986 CD2 PHE A 122 6.938 6.154 -3.955 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.698 7.387 -2.826 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.059 7.424 -3.379 1.00 1.29 C ATOM 1989 CZ PHE A 122 5.937 8.043 -2.813 1.00 1.27 C ATOM 0 H PHE A 122 3.866 2.347 -5.051 1.00 1.05 H new ATOM 0 HA PHE A 122 3.797 5.022 -5.593 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.138 3.458 -3.819 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.479 3.768 -4.904 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.636 5.612 -3.416 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.800 5.672 -4.393 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.830 7.860 -2.391 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.015 7.926 -3.371 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.026 9.023 -2.368 1.00 1.27 H new ATOM 1999 N THR A 123 5.662 3.550 -7.721 1.00 1.15 N ATOM 2000 CA THR A 123 6.415 3.778 -8.978 1.00 1.20 C ATOM 2001 C THR A 123 5.454 4.278 -10.051 1.00 1.18 C ATOM 2002 O THR A 123 5.692 5.272 -10.707 1.00 1.22 O ATOM 2003 CB THR A 123 7.069 2.470 -9.434 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.676 1.832 -8.319 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.132 2.770 -10.492 1.00 1.27 C ATOM 0 H THR A 123 5.466 2.574 -7.497 1.00 1.15 H new ATOM 0 HA THR A 123 7.193 4.522 -8.810 1.00 1.20 H new ATOM 0 HB THR A 123 6.310 1.814 -9.860 1.00 1.21 H new ATOM 0 HG1 THR A 123 6.986 1.402 -7.772 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.596 1.838 -10.815 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.666 3.259 -11.347 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.892 3.426 -10.068 1.00 1.27 H new ATOM 2013 N LYS A 124 4.376 3.584 -10.237 1.00 1.12 N ATOM 2014 CA LYS A 124 3.395 3.971 -11.284 1.00 1.10 C ATOM 2015 C LYS A 124 2.577 5.208 -10.902 1.00 1.10 C ATOM 2016 O LYS A 124 1.979 5.832 -11.755 1.00 1.11 O ATOM 2017 CB LYS A 124 2.435 2.811 -11.477 1.00 1.04 C ATOM 2018 CG LYS A 124 3.188 1.590 -11.994 1.00 1.04 C ATOM 2019 CD LYS A 124 2.258 0.358 -11.935 1.00 0.99 C ATOM 2020 CE LYS A 124 2.500 -0.523 -13.160 1.00 0.98 C ATOM 2021 NZ LYS A 124 1.564 -1.678 -13.142 1.00 0.92 N ATOM 0 H LYS A 124 4.126 2.752 -9.702 1.00 1.12 H new ATOM 0 HA LYS A 124 3.951 4.209 -12.191 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.945 2.573 -10.533 1.00 1.04 H new ATOM 0 HB3 LYS A 124 1.651 3.090 -12.181 1.00 1.04 H new ATOM 0 HG2 LYS A 124 3.522 1.760 -13.018 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.080 1.416 -11.392 1.00 1.04 H new ATOM 0 HD2 LYS A 124 2.446 -0.209 -11.023 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.216 0.677 -11.903 1.00 0.99 H new ATOM 0 HE2 LYS A 124 2.358 0.058 -14.071 1.00 0.98 H new ATOM 0 HE3 LYS A 124 3.530 -0.878 -13.166 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 1.366 -1.979 -14.117 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.995 -2.466 -12.617 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 0.676 -1.398 -12.679 1.00 0.92 H new ATOM 2035 N TYR A 125 2.501 5.554 -9.641 1.00 1.10 N ATOM 2036 CA TYR A 125 1.666 6.731 -9.242 1.00 1.11 C ATOM 2037 C TYR A 125 2.567 7.937 -8.964 1.00 1.17 C ATOM 2038 O TYR A 125 2.154 9.070 -9.065 1.00 1.20 O ATOM 2039 CB TYR A 125 0.883 6.378 -7.974 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.367 5.570 -8.307 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.304 4.438 -9.146 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.601 5.954 -7.761 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.466 3.710 -9.428 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.758 5.221 -8.048 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.691 4.101 -8.880 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.833 3.380 -9.161 1.00 0.86 O ATOM 0 H TYR A 125 2.977 5.077 -8.875 1.00 1.10 H new ATOM 0 HA TYR A 125 0.977 6.979 -10.049 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.519 5.807 -7.297 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.600 7.292 -7.451 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.641 4.133 -9.571 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.658 6.819 -7.117 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -1.416 2.844 -10.071 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.705 5.522 -7.625 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.597 3.785 -8.700 1.00 0.86 H new ATOM 2056 N ARG A 126 3.786 7.685 -8.602 1.00 1.20 N ATOM 2057 CA ARG A 126 4.752 8.774 -8.295 1.00 1.27 C ATOM 2058 C ARG A 126 4.569 9.959 -9.258 1.00 1.31 C ATOM 2059 O ARG A 126 4.842 11.093 -8.919 1.00 1.35 O ATOM 2060 CB ARG A 126 6.171 8.160 -8.395 1.00 1.31 C ATOM 2061 CG ARG A 126 7.138 9.106 -9.111 1.00 1.38 C ATOM 2062 CD ARG A 126 8.581 8.548 -9.078 1.00 1.42 C ATOM 2063 NE ARG A 126 9.545 9.632 -8.700 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.491 10.816 -9.255 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.643 11.059 -10.215 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.309 11.754 -8.859 1.00 1.59 N ATOM 0 H ARG A 126 4.167 6.744 -8.502 1.00 1.20 H new ATOM 0 HA ARG A 126 4.587 9.173 -7.294 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.546 7.942 -7.395 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.122 7.212 -8.931 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.820 9.243 -10.145 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.112 10.087 -8.636 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.646 7.728 -8.363 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.844 8.141 -10.054 1.00 1.42 H new ATOM 0 HE ARG A 126 10.258 9.443 -7.995 1.00 1.49 H new ATOM 0 HH11 ARG A 126 8.015 10.323 -10.539 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.608 11.985 -10.642 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.986 11.562 -8.120 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.271 12.678 -9.288 1.00 1.59 H new ATOM 2080 N ASN A 127 4.135 9.699 -10.454 1.00 1.30 N ATOM 2081 CA ASN A 127 3.958 10.789 -11.449 1.00 1.33 C ATOM 2082 C ASN A 127 2.501 11.230 -11.450 1.00 1.29 C ATOM 2083 O ASN A 127 2.164 12.330 -11.841 1.00 1.31 O ATOM 2084 CB ASN A 127 4.346 10.228 -12.829 1.00 1.35 C ATOM 2085 CG ASN A 127 5.780 10.635 -13.193 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.028 11.768 -13.555 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.737 9.752 -13.108 1.00 1.46 N ATOM 0 H ASN A 127 3.892 8.767 -10.790 1.00 1.30 H new ATOM 0 HA ASN A 127 4.582 11.649 -11.207 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.261 9.141 -12.823 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.654 10.598 -13.586 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.694 10.013 -13.346 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.528 8.801 -12.804 1.00 1.46 H new ATOM 2094 N VAL A 128 1.645 10.362 -11.019 1.00 1.23 N ATOM 2095 CA VAL A 128 0.187 10.670 -10.979 1.00 1.18 C ATOM 2096 C VAL A 128 -0.236 10.930 -9.537 1.00 1.15 C ATOM 2097 O VAL A 128 0.237 10.319 -8.601 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.577 9.478 -11.572 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.049 9.506 -11.138 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.504 9.537 -13.101 1.00 1.17 C ATOM 0 H VAL A 128 1.892 9.431 -10.684 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.036 11.563 -11.564 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.120 8.558 -11.209 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.572 8.652 -11.569 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.109 9.456 -10.051 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.513 10.429 -11.485 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.046 8.691 -13.524 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.952 10.467 -13.451 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.538 9.495 -13.417 1.00 1.17 H new